Geometry & MOs

Info

ID:	397879
PubChem CID:	135030892
Reduced:	SO3H16C18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	359.98196
ΔH_f, kcal/mol:	-64.04
Dipole, Da:	1.94
IP(EA), eV:	-8.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-2-phenyl-2H-thiochromene-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(=CC3=CC=CC=C3S2)C(=O)OC

DOS

IR

Vibrations