Geometry & MOs

Info

ID:	134918
PubChem CID:	51783216
Reduced:	SN2O5C25H26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	466.156243
ΔH_f, kcal/mol:	-140.94
Dipole, Da:	6.8
IP(EA), eV:	-9.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-hydroxyphenyl)-2-[methyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@@H](C2=CC=CC=C2O)N(C)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations