Geometry & MOs

Info

ID:	397880
PubChem CID:	135030893
Reduced:	BrSO2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	316.032479
ΔH_f, kcal/mol:	-20.63
Dipole, Da:	1.72
IP(EA), eV:	-8.79(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations