Geometry & MOs

Info

ID:	447467
PubChem CID:	135283077
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	571.14226
ΔH_f, kcal/mol:	-41.2
Dipole, Da:	2.7
IP(EA), eV:	-8.39(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-5-(1-methylpyrazole-3-carbonyl)-3-oxo-1-[(3S)-oxolan-3-yl]oxyisoindol-2-yl]methyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(CCCNC(=O)C(=C)C)ON1C(=NC2=C1C3=CC=CC=C3N=C2N)COCC

DOS

IR

Vibrations