Geometry & MOs

Info

ID:	52417
PubChem CID:	12015277
Reduced:	BrSN4H13C18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	402.94487
ΔH_f, kcal/mol:	139.49
Dipole, Da:	4.37
IP(EA), eV:	-8.79(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-bromophenyl)-5-imino-2,4-bis(sulfanylidene)imidazolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C=CCN1C2=NC3=CC=CC=C3N=C2N(C1=S)C4=CC=C(C=C4)Br

DOS

IR

Vibrations