Geometry & MOs

Info

ID:	150932
PubChem CID:	53790629
Reduced:	SN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	328.24023
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	5.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.906922
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) 4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)OC2=CC=C(C=C2)S(=O)[O-])N)N

DOS

IR

Vibrations