Geometry & MOs

Info

ID:	346629
PubChem CID:	127271133
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-169.5
Dipole, Da:	5.57
IP(EA), eV:	-9.5(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-[1-(oxolan-2-yl)propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations