Geometry & MOs

Info

ID:	134998
PubChem CID:	51795574
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	486.101621
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	8.0
IP(EA), eV:	-9.53(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-chloro-N-(2-hydroxyacetyl)anilino)-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=CC=C1C)N(C2=CC(=CC=C2)Cl)C(=O)CO

DOS

IR

Vibrations