Geometry & MOs

Info

ID:	28819
PubChem CID:	829817
Reduced:	ClNSH10C15 (1)
Stoich.:	ABCD10E15 (1)
Weight, g/mol:	254.053886
ΔH_f, kcal/mol:	75.42
Dipole, Da:	1.68
IP(EA), eV:	-8.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]butanedioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations