Geometry & MOs

Info

ID:	401573
PubChem CID:	135051673
Reduced:	SH20C23 (1)
Stoich.:	AB20C23 (1)
Weight, g/mol:	392.069343
ΔH_f, kcal/mol:	56.11
Dipole, Da:	1.99
IP(EA), eV:	-8.3(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-benzo[e][1]benzothiol-2-ylethenyl]benzo[e][1]benzothiole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC3=C2C=C(C=C3)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations