Geometry & MOs

Info

ID:	338911
PubChem CID:	127259922
Reduced:	NOSC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	238.102751
ΔH_f, kcal/mol:	25.15
Dipole, Da:	5.78
IP(EA), eV:	-8.1(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylcyclohexyl) benzenesulfinate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)/N=C(\C2=CC=CC=C2)/C(C)C

DOS

IR

Vibrations