Geometry & MOs

Info

ID:	397832
PubChem CID:	135030818
Reduced:	Cl2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	393.94299
ΔH_f, kcal/mol:	-111.84
Dipole, Da:	3.87
IP(EA), eV:	-9.48(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromophenyl)-6-chloro-2H-thiochromene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C(=O)C(=C1Cl)Cl)(OC)OC)C

DOS

IR

Vibrations