Geometry & MOs

Info

ID:	64320
PubChem CID:	29199076
Reduced:	SCl2O2N4C21H24 (1)
Stoich.:	AB2C2D4E21F24 (1)
Weight, g/mol:	444.160912
ΔH_f, kcal/mol:	-13.83
Dipole, Da:	6.8
IP(EA), eV:	-8.5(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H](CNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations