Geometry & MOs

Info

ID:	440919
PubChem CID:	135232223
Reduced:	FO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	382.175522
ΔH_f, kcal/mol:	-95.33
Dipole, Da:	4.44
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(4-ethenyl-3-ethyl-2-methylidenecyclopent-3-en-1-ylidene)-1-methyl-3-methylidene-2-[(Z)-prop-1-enyl]dibenzothiophene

Drug info:

PubChemData

Smile

C/C(=C(/C)\C(=O)O)/C=C/C(=C(/C)\C=C\1/CCCC2=CC=CC=C21)/F

DOS

IR

Vibrations