Geometry & MOs

Info

ID:	142152
PubChem CID:	52991557
Reduced:	SO3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	390.197714
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	5.41
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclohexyliminopiperidin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CN1C2CCCCC2SC1=NC(=O)C3=CC4=C(N=C3)N(C(=O)N(C4=O)C)C

DOS

IR

Vibrations