Geometry & MOs

Info

ID:	48396
PubChem CID:	10544427
Reduced:	SO3C19H22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-105.56
Dipole, Da:	2.52
IP(EA), eV:	-8.79(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R,6S)-4-ethoxy-2-[(1S)-1-hydroxyprop-2-enyl]-1-bicyclo[4.1.0]hept-4-enyl]-4-methyl-3-prop-1-en-2-ylpent-3-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SC(CCCC2=CC=CC=C2)CC(=O)O

DOS

IR

Vibrations