Geometry & MOs

Info

ID:	437703
PubChem CID:	135226868
Reduced:	O8C43H68 (1)
Stoich.:	A8B43C68 (1)
Weight, g/mol:	274.106122
ΔH_f, kcal/mol:	-418.3
Dipole, Da:	2.25
IP(EA), eV:	-9.28(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-2,4-bis(methylsulfanyl)cyclohexyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1(CCC(CC1OC2CCC(CC2)C3CC(C(CC3OC4CCCC4)OC5CCCC5)(C)OC(=O)C(=C)C)OC6CCCC6)C

DOS

IR

Vibrations