Geometry & MOs

Info

ID:	397833
PubChem CID:	135030819
Reduced:	BrClSO2H12C17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	361.017557
ΔH_f, kcal/mol:	-30.74
Dipole, Da:	2.02
IP(EA), eV:	-8.89(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations