Geometry & MOs

Info

ID:	312235
PubChem CID:	126603758
Reduced:	NC33H65 (1)
Stoich.:	AB33C65 (1)
Weight, g/mol:	441.107102
ΔH_f, kcal/mol:	-125.96
Dipole, Da:	1.22
IP(EA), eV:	-8.24(2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3R)-1-(2-cyanoprop-2-enoyl)pyrrolidin-3-yl]benzimidazol-2-yl]-5-(difluoromethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC1CCCCCCN1CC2CCCCCCCCCCCCCC(CCC2)CC

DOS

IR

Vibrations