Geometry & MOs

Info

ID:	434712
PubChem CID:	135175569
Reduced:	ClF2N3O4C37H38 (1)
Stoich.:	AB2C3D4E37F38 (1)
Weight, g/mol:	661.251891
ΔH_f, kcal/mol:	-215.54
Dipole, Da:	4.43
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-3-(4-aminopiperidin-1-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-2-(6-cyclopentyloxynaphthalen-2-yl)-2-hydroxyacetamide

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

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)[C@@H](C(=O)N[C@@H](C(=O)N4CCC(CC4)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F)O

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

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)[C@@H](C(=O)N[C@@H](C(=O)N4CCC(CC4)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):