Geometry & MOs

Info

ID:	397881
PubChem CID:	135030895
Reduced:	ClSO2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	356.10823
ΔH_f, kcal/mol:	-32.49
Dipole, Da:	1.7
IP(EA), eV:	-8.73(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-ethoxy-2-(4-methoxyphenyl)-2H-thiochromene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=CC(=C2)Cl)SC1C3=CC=CC=C3

DOS

IR

Vibrations