Geometry & MOs

Info

ID:	371504
PubChem CID:	127346720
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	399.138341
ΔH_f, kcal/mol:	-97.27
Dipole, Da:	2.01
IP(EA), eV:	-8.97(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CCC(C2)CN3CCCC3

DOS

IR

Vibrations