Geometry & MOs

Info

ID:	446841
PubChem CID:	135278132
Reduced:	ClNC16H22 (1)
Stoich.:	ABC16D22 (1)
Weight, g/mol:	455.205636
ΔH_f, kcal/mol:	6.62
Dipole, Da:	4.59
IP(EA), eV:	-9.16(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-5-amino-4-[7-[[6-(hydroxymethyl)pyridin-3-yl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(=C/C(=C\CCC1=CC=C(C=C1)Cl)/CCN)C

DOS

IR

Vibrations