Geometry & MOs

Info

ID:	236336
PubChem CID:	92712407
Reduced:	ClSN2O5H17C18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	438.136176
ΔH_f, kcal/mol:	-167.17
Dipole, Da:	2.89
IP(EA), eV:	-8.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(benzenesulfonyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)C3=CC=CC=C3)Cl

DOS

IR

Vibrations