Geometry & MOs

Info

ID:	435068
PubChem CID:	135179524
Reduced:	NO6C36H39 (1)
Stoich.:	AB6C36D39 (1)
Weight, g/mol:	773.242783
ΔH_f, kcal/mol:	-151.28
Dipole, Da:	4.3
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[5-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]pyrimidin-5-yl]-3-(1-hydroxyethyl)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C(=O)COCC1=CC=C(C=C1)OC2=CC=CC(=C2)CC(C)C(=O)COCCOC3=CN=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C(=O)COCC1=CC=C(C=C1)OC2=CC=CC(=C2)CC(C)C(=O)COCCOC3=CN=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):