Geometry & MOs

Info

ID:	223493
PubChem CID:	85335121
Reduced:	ClNO4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	388.097204
ΔH_f, kcal/mol:	-147.85
Dipole, Da:	1.95
IP(EA), eV:	-9.52(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,1,3-benzoxadiazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1CC(C2C1C2C(=O)O)(C(=O)OCC3=CC=CC=C3C4=CC=CC=C4)N.Cl

DOS

IR

Vibrations