Geometry & MOs

Info

ID:	139267
PubChem CID:	52501343
Reduced:	N3O5C24H34 (1)
Stoich.:	A3B5C24D34 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-149.16
Dipole, Da:	11.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758525
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

Drug info:

PubChemData

Smile

CCC[NH+](CC(=O)NCC1=CC(=C(C=C1OC)OC)OC)[C@@H](C)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations