Geometry & MOs

Info

ID:	194399
PubChem CID:	78529022
Reduced:	SN2O3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	404.077514
ΔH_f, kcal/mol:	-66.72
Dipole, Da:	5.78
IP(EA), eV:	-8.64(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 3-(3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations