Geometry & MOs

Info

ID:	174986
PubChem CID:	75842074
Reduced:	SO2N3C18H30 (1)
Stoich.:	AB2C3D18E30 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	3.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754323
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-diethoxyphenyl)-N-[(4-nitrophenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CC(C[NH+](C1)CC(C)NC(=O)C(C)NC(=O)C2=CC=CS2)C

DOS

IR

Vibrations