Geometry & MOs

Info

ID:	60454
PubChem CID:	26687205
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-85.26
Dipole, Da:	6.65
IP(EA), eV:	-8.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)NC(=O)/C=C/C3=CC(=C(C=C3)OCC(C)C)OC)C

DOS

IR

Vibrations