Geometry & MOs

Info

ID:	67019
PubChem CID:	46505713
Reduced:	NOBr2S2H17C18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	332.00481
ΔH_f, kcal/mol:	58.17
Dipole, Da:	2.36
IP(EA), eV:	-9.2(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(5-bromofuran-2-yl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

CC(C)N1C/C(=C\C2=CC=C(S2)Br)/C(=O)/C(=C\C3=CC=C(S3)Br)/C1

DOS

IR

Vibrations