Geometry & MOs

Info

ID:	410530
PubChem CID:	135083328
Reduced:	BSnC20H29 (1)
Stoich.:	ABC20D29 (1)
Weight, g/mol:	154.008851
ΔH_f, kcal/mol:	68.77
Dipole, Da:	1.32
IP(EA), eV:	-8.98(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(sulfanylmethyl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

B(CC=C)(CC=C)/C(=C(/CC=C)\C1=CC=CC=C1)/[Sn](C)(C)C

DOS

IR

Vibrations