Geometry & MOs

Info

ID:	323510
PubChem CID:	126675067
Reduced:	NSF2O2C23H23 (1)
Stoich.:	ABC2D2E23F23 (1)
Weight, g/mol:	555.183044
ΔH_f, kcal/mol:	-144.91
Dipole, Da:	3.73
IP(EA), eV:	-8.52(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[3-cyano-4-(1,2,4-triazol-1-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(F)F)NC(=O)C2=CC3=C(O2)C=C(C=C3)C4=CC=C(C=C4)SC

DOS

IR

Vibrations