Geometry & MOs

Info

ID:	312606
PubChem CID:	126606788
Reduced:	Cl2F2O2N3H27C30 (1)
Stoich.:	A2B2C2D3E27F30 (1)
Weight, g/mol:	270.064057
ΔH_f, kcal/mol:	-127.07
Dipole, Da:	3.72
IP(EA), eV:	-9.27(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydroxy-3,6,7,8-tetrahydroindolo[7,6-g]indole-1,2-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)Cl)NC1=O)N4CCC(=CC4=O)C5=C(C=CC(=C5F)Cl)F

DOS

IR

Vibrations