Geometry & MOs

Info

ID:	31176
PubChem CID:	855002
Reduced:	BrSO2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	5.61
IP(EA), eV:	-10.01(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-2-one

Drug info:

PubChemData

Smile

C=CS(=O)(=O)C1=CC(=CC=C1)Br

DOS

IR

Vibrations