Geometry & MOs

Info

ID:	238315
PubChem CID:	92729979
Reduced:	BrSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-129.39
Dipole, Da:	4.33
IP(EA), eV:	-9.15(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)[C@H]1CCCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations