Geometry & MOs

Info

ID:	196977
PubChem CID:	78903946
Reduced:	O2F3N3H22C23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	386.121275
ΔH_f, kcal/mol:	-157.83
Dipole, Da:	6.3
IP(EA), eV:	-9.19(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)phenyl]-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C3=CN=CO3)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations