Geometry & MOs

Info

ID:	386666
PubChem CID:	134982478
Reduced:	OSiC21H38 (1)
Stoich.:	ABC21D38 (1)
Weight, g/mol:	395.155515
ΔH_f, kcal/mol:	-124.7
Dipole, Da:	2.0
IP(EA), eV:	-8.69(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-7-prop-1-en-2-yl-3-azabicyclo[3.2.0]hept-6-ene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CC\2=CC1CCCCCCCC/C=C2

DOS

IR

Vibrations