Geometry & MOs

Info

ID:	447248
PubChem CID:	135281457
Reduced:	O2N3F5H14C15 (1)
Stoich.:	A2B3C5D14E15 (1)
Weight, g/mol:	523.131714
ΔH_f, kcal/mol:	-250.35
Dipole, Da:	3.28
IP(EA), eV:	-10.16(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-acetyl-3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]isoindol-1-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)NCC1=C(C(=C(C=C1)C2=NOC(=N2)C(F)(F)F)F)F

DOS

IR

Vibrations