Geometry & MOs

Info

ID:	190356
PubChem CID:	77990548
Reduced:	NBr2S2O5H23C24 (1)
Stoich.:	AB2C2D5E23F24 (1)
Weight, g/mol:	395.100502
ΔH_f, kcal/mol:	-151.02
Dipole, Da:	4.72
IP(EA), eV:	-8.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3,4,5-tetrahydroxypentanoyl)indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)C=C2C(=O)NC3CCC(CC3S2)S(=O)(=O)CC4=C(C=CC=C4Br)Br

DOS

IR

Vibrations