Geometry & MOs

Info

ID:	233648
PubChem CID:	91147576
Reduced:	F3O3N5H18C20 (1)
Stoich.:	A3B3C5D18E20 (1)
Weight, g/mol:	447.015469
ΔH_f, kcal/mol:	-188.25
Dipole, Da:	5.46
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-2-(hydrazinecarbonylamino)-3-hydroxy-1-oxo-8-(trioxidanylsulfanyl)-4H-benzo[de]isoquinoline-5-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C(N(C(=O)N1CC2=CC(=NC=C2)C3=NCCN3)C4=CC=C(C=C4)OC(F)(F)F)O

DOS

IR

Vibrations