Geometry & MOs

Info

ID:	49225
PubChem CID:	11532051
Reduced:	ClN3C27H28 (1)
Stoich.:	AB3C27D28 (1)
Weight, g/mol:	432.077993
ΔH_f, kcal/mol:	93.49
Dipole, Da:	5.88
IP(EA), eV:	-8.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[3-(4-carboxyphenyl)anilino]-1,3-thiazol-4-yl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations