Geometry & MOs

Info

ID:	62738
PubChem CID:	26736481
Reduced:	SN2O4C27H30 (1)
Stoich.:	AB2C4D27E30 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-108.0
Dipole, Da:	5.76
IP(EA), eV:	-8.17(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations