Geometry & MOs

Info

ID:	443572
PubChem CID:	135259364
Reduced:	N2O2F7C26H27 (1)
Stoich.:	A2B2C7D26E27 (1)
Weight, g/mol:	578.311772
ΔH_f, kcal/mol:	-440.26
Dipole, Da:	2.06
IP(EA), eV:	-9.45(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3-cyclopropyl-2H-indazol-5-yl)-N-ethyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-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

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CC[C@H]([C@@H]2C3=CC=C(C=C3)F)[C@H]4CC(C(=O)N4)(C)N

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

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CC[C@H]([C@@H]2C3=CC=C(C=C3)F)[C@H]4CC(C(=O)N4)(C)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):