Geometry & MOs

Info

ID:	323896
PubChem CID:	126676473
Reduced:	ClNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	601.169428
ΔH_f, kcal/mol:	-7.56
Dipole, Da:	1.91
IP(EA), eV:	-8.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[3-methoxy-4-(methylsulfonylmethoxy)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C2C=C(C=CC2=C1)CCl

DOS

IR

Vibrations