Geometry & MOs

Info

ID:	25162
PubChem CID:	620460
Reduced:	OCl2N3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	333.94856
ΔH_f, kcal/mol:	5.16
Dipole, Da:	2.31
IP(EA), eV:	-9.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3,5-diphenyl-1lambda4,2-dithiacyclopenta-3,5-diene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C2=NNC(=C2)C(=O)N

DOS

IR

Vibrations