Geometry & MOs

Info

ID:	161103
PubChem CID:	57390778
Reduced:	OSN7H15C17 (1)
Stoich.:	ABC7D15E17 (1)
Weight, g/mol:	369.121237
ΔH_f, kcal/mol:	74.44
Dipole, Da:	4.71
IP(EA), eV:	-8.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1NC2=NC(=C3C(=C(SC3=N2)C(=O)N)N)C4=CC5=C(C=C4)N=CN5

DOS

IR

Vibrations