Geometry & MOs

Info

ID:	173247
PubChem CID:	75611634
Reduced:	BrO3N8H19C20 (1)
Stoich.:	AB3C8D19E20 (1)
Weight, g/mol:	430.109962
ΔH_f, kcal/mol:	99.43
Dipole, Da:	4.16
IP(EA), eV:	-9.24(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=CC=C3[N+](=O)[O-])NC4=CC(=CC=C4)Br

DOS

IR

Vibrations