Geometry & MOs

Info

ID:	238319
PubChem CID:	92729983
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	429.172228
ΔH_f, kcal/mol:	-173.1
Dipole, Da:	4.36
IP(EA), eV:	-9.22(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@H]2C(=O)NC(C)C

DOS

IR

Vibrations