Geometry & MOs

Info

ID:	173583
PubChem CID:	75657043
Reduced:	SN3O6C22H22 (1)
Stoich.:	AB3C6D22E22 (1)
Weight, g/mol:	413.06009
ΔH_f, kcal/mol:	-128.4
Dipole, Da:	1.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.099872
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloropyridin-2-yl)sulfanyl-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N=C2C=CC=CC2=C([O-])OC(C)C(=O)NC3=CC(=NO3)C

DOS

IR

Vibrations