Geometry & MOs

Info

ID:	386527
PubChem CID:	134982039
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	306.09258
ΔH_f, kcal/mol:	-113.44
Dipole, Da:	2.81
IP(EA), eV:	-9.15(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(benzenesulfonyl)-2-[(1R)-cyclohepta-2,4-dien-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)C([C@@H]1CCC=CC=C1)C(=O)OC

DOS

IR

Vibrations