Geometry & MOs

Info

ID:	61181
PubChem CID:	26706792
Reduced:	SO2N3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	9.26
Dipole, Da:	4.47
IP(EA), eV:	-8.94(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

DOS

IR

Vibrations