Geometry & MOs

Info

ID:	132391
PubChem CID:	51354606
Reduced:	O4N5C23H26 (2)
Stoich.:	A4B5C23D26 (2)
Weight, g/mol:	425.89253
ΔH_f, kcal/mol:	-156.27
Dipole, Da:	1.43
IP(EA), eV:	-7.92(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4bR,5R,9bS)-2,8-dibromo-4b,5,9b-trihydroxy-5H-indeno[2,1-a]inden-10-one

Drug info:

PubChemData

Smile

CC(CNC1=NC2=C(C(=N1)NCC3=CC(=C(C=C3)OC)OC)N=C(N=C2NCC4=CC(=C(C=C4)OCC=C)OC)NCC(C)OC(=O)NC5=CC=CC=C5)OC(=O)NC6=CC=CC=C6

DOS

IR

Vibrations