Geometry & MOs

Info

ID:	168014
PubChem CID:	74912434
Reduced:	SO4N5C25H25 (1)
Stoich.:	AB4C5D25E25 (1)
Weight, g/mol:	391.214744
ΔH_f, kcal/mol:	17.22
Dipole, Da:	8.06
IP(EA), eV:	-8.33(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-3-(6-methoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C2C(=CC=C1)SC(=N2)N(CCN3C(=CC(=N3)C)C)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations