Geometry & MOs

Info

ID:	243609
PubChem CID:	99233357
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-105.33
Dipole, Da:	11.18
IP(EA), eV:	-9.33(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3R)-3-methylpiperidin-1-yl]-3-nitrophenyl]-[(2R)-2-propan-2-ylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCCN1C(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations