Geometry & MOs

Info

ID:	155656
PubChem CID:	56366661
Reduced:	O3N6C23H24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	428.148455
ΔH_f, kcal/mol:	-21.06
Dipole, Da:	7.43
IP(EA), eV:	-9.0(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dioxo-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-2-(2-phenylethyl)isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)NCC(=O)NC4=CN=CC=C4

DOS

IR

Vibrations