Geometry & MOs

Info

ID:	347523
PubChem CID:	127272378
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-116.32
Dipole, Da:	4.32
IP(EA), eV:	-8.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethanesulfonamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NS(=O)(=O)CC(=O)N2CCN(CC2)CC3=CC=CC=N3

DOS

IR

Vibrations