Geometry & MOs

Info

ID:	445666
PubChem CID:	135268828
Reduced:	OSF3H5C10 (2)
Stoich.:	ABC3D5E10 (2)
Weight, g/mol:	556.12229
ΔH_f, kcal/mol:	-311.65
Dipole, Da:	3.55
IP(EA), eV:	-8.94(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-(3-hydroxypropyl)-4-iodo-1-[(4-methylphenyl)methyl]-2-(3-propan-2-ylphenyl)-4H-pyrrolo[2,3-c]pyridine-5,7-dione

Drug info:

PubChemData

Smile

C1=CC=C2C3=C(C=C(C=C3)OSC(F)(F)F)C4=C(C2=C1)C=CC(=C4)OSC(F)(F)F

DOS

IR

Vibrations