Geometry & MOs

Info

ID:	168017
PubChem CID:	74912910
Reduced:	ClNO3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	355.124215
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	3.36
IP(EA), eV:	-8.5(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methoxy-2,3-dimethyl-1-benzofuran-5-yl)-N-(thiophen-2-ylmethyl)but-2-enamide

Drug info:

PubChemData

Smile

CC1=C(OC2=CC(=C(C=C12)C(=CC(=O)NC3=CC=CC=C3Cl)C)OC)C

DOS

IR

Vibrations