Geometry & MOs

Info

ID:	193489
PubChem CID:	78399696
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	385.127385
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	4.43
IP(EA), eV:	-8.72(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-N-[3-(2-nitrophenyl)prop-2-enylideneamino]benzamide

Drug info:

PubChemData

Smile

CCCCN1C2=CC=CC=C2C(=NNS(=O)(=O)C3=C(C=CC(=C3)C)C)C1=O

DOS

IR

Vibrations