Geometry & MOs

Info

ID:	372131
PubChem CID:	131293535
Reduced:	ClN5C10H14 (1)
Stoich.:	AB5C10D14 (1)
Weight, g/mol:	240.04563
ΔH_f, kcal/mol:	71.3
Dipole, Da:	4.28
IP(EA), eV:	-9.79(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-6-methoxy-2,4-dihydrothiochromene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H](C1=NN=C2N1N=C(C=C2)Cl)N

DOS

IR

Vibrations