Geometry & MOs

Info

ID:	346481
PubChem CID:	127270985
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	399.138341
ΔH_f, kcal/mol:	-123.26
Dipole, Da:	4.89
IP(EA), eV:	-8.84(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[3-oxo-3-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCCC2CN3CCCC3

DOS

IR

Vibrations