Geometry & MOs

Info

ID:	60800
PubChem CID:	26702301
Reduced:	N3O5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	361.088498
ΔH_f, kcal/mol:	-79.45
Dipole, Da:	3.59
IP(EA), eV:	-8.28(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN(C=C2C(=O)NC3=CC(=C(C(=C3)OC)OC)OC)CC4=CC=CC=C4

DOS

IR

Vibrations