Geometry & MOs

Info

ID:	178042
PubChem CID:	76267591
Reduced:	SCl2O2N3H19C22 (1)
Stoich.:	AB2C2D3E19F22 (1)
Weight, g/mol:	403.093498
ΔH_f, kcal/mol:	5.54
Dipole, Da:	3.07
IP(EA), eV:	-9.26(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-methoxyethyl)-4-[3-(3-nitrophenyl)prop-2-enoylamino]benzamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl)C(=O)C=CC4=CC=CC=N4

DOS

IR

Vibrations