Geometry & MOs

Info

ID:	366603
PubChem CID:	127320132
Reduced:	NSO4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	398.223929
ΔH_f, kcal/mol:	-140.41
Dipole, Da:	7.68
IP(EA), eV:	-9.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyclohexylacetyl)amino]-N-(1,1-dioxothian-3-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC=C(C=C2)OCC3CC3

DOS

IR

Vibrations