Geometry & MOs

Info

ID:	346479
PubChem CID:	127270983
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	399.138341
ΔH_f, kcal/mol:	16.93
Dipole, Da:	3.52
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2S)-1-oxo-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)N4CCCC4CN5CCCC5

DOS

IR

Vibrations