Geometry & MOs

Info

ID:	351377
PubChem CID:	127280265
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	397.214761
ΔH_f, kcal/mol:	-109.2
Dipole, Da:	8.33
IP(EA), eV:	-9.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations