Geometry & MOs

Info

ID:	64321
PubChem CID:	29199084
Reduced:	FN2O2C11H11 (2)
Stoich.:	AB2C2D11E11 (2)
Weight, g/mol:	404.111853
ΔH_f, kcal/mol:	-170.76
Dipole, Da:	2.28
IP(EA), eV:	-9.13(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)/C=C/C3=C(C(=CC=C3)OC)OC(F)F)C

DOS

IR

Vibrations