Geometry & MOs

Info

ID:	156501
PubChem CID:	56370880
Reduced:	SN3O5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	418.16166
ΔH_f, kcal/mol:	-167.29
Dipole, Da:	7.76
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)N(CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations