Geometry & MOs

Info

ID:	124190
PubChem CID:	50874136
Reduced:	BrFN2S2O4H10C20 (1)
Stoich.:	ABC2D2E4F10G20 (1)
Weight, g/mol:	442.054481
ΔH_f, kcal/mol:	5.19
Dipole, Da:	5.38
IP(EA), eV:	-9.24(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-3-[(8-ethoxy-2-oxochromen-3-yl)disulfanyl]chromen-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)N2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)/SC2=S

DOS

IR

Vibrations