Geometry & MOs

Info

ID:	437683
PubChem CID:	135226848
Reduced:	SO3C14H24 (1)
Stoich.:	AB3C14D24 (1)
Weight, g/mol:	300.175916
ΔH_f, kcal/mol:	-146.69
Dipole, Da:	2.69
IP(EA), eV:	-7.93(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-4-methoxy-2-methylsulfanylcyclohexyl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCC1(CCC(CC1SC)OC)OC(=O)C(=C)C

DOS

IR

Vibrations