Geometry & MOs

Info

ID:	313491
PubChem CID:	126614997
Reduced:	ClNSO5H20C24 (1)
Stoich.:	ABCD5E20F24 (1)
Weight, g/mol:	422.1334
ΔH_f, kcal/mol:	-134.39
Dipole, Da:	3.15
IP(EA), eV:	-8.78(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(5E)-4-hydroxy-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C=CC(=C2)C(=O)O)Cl)C)C=C(C(=O)OC3=CC=CC=C3)SC(=O)C

DOS

IR

Vibrations