Geometry & MOs

Info

ID:	303859
PubChem CID:	124490289
Reduced:	BrN3H16C24 (1)
Stoich.:	AB3C16D24 (1)
Weight, g/mol:	422.083747
ΔH_f, kcal/mol:	155.53
Dipole, Da:	6.0
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-oxonaphthalen-1-ylidene)-10-sulfanylidene-7,11-dihydronaphtho[2,1-g]pteridin-8-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C[C@]2(C3=CC=CC=C3C4=NC=CN42)C5=CC=C(C=C5)Br)C#N

DOS

IR

Vibrations