Geometry & MOs

Info

ID:	13988
PubChem CID:	401322
Reduced:	S2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	430.163637
ΔH_f, kcal/mol:	-130.78
Dipole, Da:	2.47
IP(EA), eV:	-8.45(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-hydroxy-2,2-bis[(4-methylphenyl)sulfanyl]cyclohexyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1(CCCCC1(SC2=CC=C(C=C2)C)SC3=CC=C(C=C3)C)O

DOS

IR

Vibrations