Geometry & MOs

Info

ID:	329479
PubChem CID:	126737294
Reduced:	NO2C11H25 (1)
Stoich.:	AB2C11D25 (1)
Weight, g/mol:	466.091118
ΔH_f, kcal/mol:	-114.4
Dipole, Da:	1.4
IP(EA), eV:	-8.77(1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethyl)-N-[5-formyl-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN[C@@H](COCCOC)C(C)(C)C

DOS

IR

Vibrations