Geometry & MOs

Info

ID:	162205
PubChem CID:	57393937
Reduced:	ClNOC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	536.00886
ΔH_f, kcal/mol:	-31.52
Dipole, Da:	1.59
IP(EA), eV:	-8.75(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(4-bromophenyl)-5-[[2,5-dimethyl-1-[3-(2H-tetrazol-5-yl)phenyl]pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C/C(=C\CN1CCOCC1)/C2=CC3=CC=CC=C3C=C2.Cl

DOS

IR

Vibrations