Geometry & MOs

Info

ID:	178057
PubChem CID:	76270689
Reduced:	SN4O6C21H22 (1)
Stoich.:	AB4C6D21E22 (1)
Weight, g/mol:	472.166808
ΔH_f, kcal/mol:	-189.21
Dipole, Da:	9.54
IP(EA), eV:	-8.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

DOS

IR

Vibrations