Geometry & MOs

Info

ID:	22380
PubChem CID:	597087
Reduced:	SO4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	308.10823
ΔH_f, kcal/mol:	-147.21
Dipole, Da:	5.73
IP(EA), eV:	-9.4(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(benzenesulfonyl)-3-(cyclohexen-1-yl)propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CCCCC1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations