Geometry & MOs

Info

ID:	437661
PubChem CID:	135226768
Reduced:	SO5C16H26 (1)
Stoich.:	AB5C16D26 (1)
Weight, g/mol:	270.165351
ΔH_f, kcal/mol:	-223.55
Dipole, Da:	2.21
IP(EA), eV:	-9.24(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1(CCC(CC1C(=O)SC)OCCOC)C

DOS

IR

Vibrations