Geometry & MOs

Info

ID:	187899
PubChem CID:	77640442
Reduced:	ClSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	481.14382
ΔH_f, kcal/mol:	-119.94
Dipole, Da:	3.64
IP(EA), eV:	-9.45(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[[(4-chlorophenyl)sulfonylamino]-pyridin-3-ylmethyl]pyrrolidin-2-yl]hex-5-enoic acid;hydrate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC1)N2CCC(C2=O)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

DOS

IR

Vibrations