Geometry & MOs

Info

ID:	437685
PubChem CID:	135226850
Reduced:	O3C8H13 (2)
Stoich.:	A3B8C13 (2)
Weight, g/mol:	330.132337
ΔH_f, kcal/mol:	-268.94
Dipole, Da:	2.91
IP(EA), eV:	-9.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-2-methylsulfanylcarbonyl-4-propan-2-ylsulfanylcyclohexyl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1(CCC(CC1C(=O)OC)OC)CCOC

DOS

IR

Vibrations