Geometry & MOs

Info

ID:	401439
PubChem CID:	135051274
Reduced:	NCl2S4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	359.93119
ΔH_f, kcal/mol:	108.73
Dipole, Da:	2.11
IP(EA), eV:	-6.38(-3.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-bromo-4-(4-methylphenyl)-1,2lambda4-dithiacyclopenta-2,4-dien-3-yl]sulfanyl]propan-2-one

Drug info:

PubChemData

Smile

CCN(C1=C(S[S+]=C1)Cl)C2=C(S[S+]=C2)Cl

DOS

IR

Vibrations