Geometry & MOs

Info

ID:	132371
PubChem CID:	51350595
Reduced:	SO4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-153.07
Dipole, Da:	5.49
IP(EA), eV:	-9.91(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4Z,9S)-1-methyl-6-methylidene-10-oxabicyclo[7.1.0]dec-4-ene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC[C@]3([C@@]2(CCC=C3)C)O

DOS

IR

Vibrations