Geometry & MOs

Info

ID:	397773
PubChem CID:	135030713
Reduced:	SBr2O2H12C17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	404.96704
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	1.96
IP(EA), eV:	-8.92(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-2-(3-nitrophenyl)-2H-thiochromene-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations