Geometry & MOs

Info

ID:	51521
PubChem CID:	12014203
Reduced:	BrSbN2O2S2H22C29 (1)
Stoich.:	ABC2D2E2F22G29 (1)
Weight, g/mol:	498.00713
ΔH_f, kcal/mol:	126.84
Dipole, Da:	8.98
IP(EA), eV:	-8.07(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-bromophenyl)-2,4-bis[(2-sulfanylphenyl)imino]butanoate

Drug info:

PubChemData

Smile

COC(=O)C(=NC1=CC=CC=C1[S-])CC(=NC2=CC=CC=C2[S-])C3=CC=C(C=C3)Br.C1=CC=C(C=C1)[Sb]

DOS

IR

Vibrations