Geometry & MOs

Info

ID:	194628
PubChem CID:	78565447
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	336.111007
ΔH_f, kcal/mol:	-78.48
Dipole, Da:	7.88
IP(EA), eV:	-8.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-N-(4-nitrophenyl)-5-phenylpenta-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)O)CN2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations