Geometry & MOs

Info

ID:	9141
PubChem CID:	86462
Reduced:	NSO6C16H21 (1)
Stoich.:	ABC6D16E21 (1)
Weight, g/mol:	355.108959
ΔH_f, kcal/mol:	-175.45
Dipole, Da:	6.19
IP(EA), eV:	-10.75(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 1-(4-nitrophenyl)sulfonylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1(CCCCC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations