Geometry & MOs

Info

ID:	139044
PubChem CID:	52464227
Reduced:	SN2O6C20H26 (1)
Stoich.:	AB2C6D20E26 (1)
Weight, g/mol:	460.049585
ΔH_f, kcal/mol:	-217.77
Dipole, Da:	4.69
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-chloro-3-nitrophenyl)-2-(4-methylsulfonylphenoxy)-2-phenylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)NCCO

DOS

IR

Vibrations