Geometry & MOs

Info

ID:	172900
PubChem CID:	75569023
Reduced:	F2O3N4C27H28 (1)
Stoich.:	A2B3C4D27E28 (1)
Weight, g/mol:	445.93945
ΔH_f, kcal/mol:	-169.08
Dipole, Da:	11.57
IP(EA), eV:	-8.26(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(3-bromophenyl)prop-2-enylidene]-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)C=C3C(=O)N(C(=O)N3)CC(=O)NC4=CC=C(C=C4)F)C(=CC1(C)C)C

DOS

IR

Vibrations