Geometry & MOs

Info

ID:	138847
PubChem CID:	52434397
Reduced:	ClSN2O2H17C22 (1)
Stoich.:	ABC2D2E17F22 (1)
Weight, g/mol:	437.08122
ΔH_f, kcal/mol:	8.23
Dipole, Da:	3.65
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CO[C@H](C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations