Geometry & MOs

Info

ID:	388134
PubChem CID:	134988292
Reduced:	NOS3C8H13 (1)
Stoich.:	ABC3D8E13 (1)
Weight, g/mol:	312.02224
ΔH_f, kcal/mol:	-6.78
Dipole, Da:	1.99
IP(EA), eV:	-8.62(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-hydroxy-1-iodo-2-propylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C=CCSSC(=S)N1CCOCC1

DOS

IR

Vibrations