Geometry & MOs

Info

ID:	401474
PubChem CID:	135051371
Reduced:	OSH16C20 (1)
Stoich.:	ABC16D20 (1)
Weight, g/mol:	410.08665
ΔH_f, kcal/mol:	44.56
Dipole, Da:	1.07
IP(EA), eV:	-8.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9Z)-4-tert-butyl-9-(5-tert-butyldithiol-3-ylidene)-5-oxa-6lambda4,7-dithiatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3-triene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=CCS2

DOS

IR

Vibrations