Geometry & MOs

Info

ID:	81381
PubChem CID:	49854664
Reduced:	BrSO2N5C18H18 (1)
Stoich.:	ABC2D5E18F18 (1)
Weight, g/mol:	250.062994
ΔH_f, kcal/mol:	3.71
Dipole, Da:	4.59
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-[1]benzofuro[3,2-c]chromen-6-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC=C(C(=N2)NC3=CC=CC=C3NS(=O)(=O)C)Br

DOS

IR

Vibrations