Geometry & MOs

Info

ID:	20012
PubChem CID:	576821
Reduced:	BrNO2S2H12C18 (1)
Stoich.:	ABC2D2E12F18 (1)
Weight, g/mol:	416.94928
ΔH_f, kcal/mol:	16.45
Dipole, Da:	3.12
IP(EA), eV:	-9.17(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromophenyl)methylidene]-3-(3-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2C(=O)C(=CC3=CC=C(C=C3)Br)SC2=S

DOS

IR

Vibrations