Geometry & MOs

Info

ID:	39803
PubChem CID:	8142383
Reduced:	ClNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	0.73
Dipole, Da:	2.22
IP(EA), eV:	-8.81(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-[2-[(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=C(C)CC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations