Geometry & MOs

Info

ID:	405407
PubChem CID:	135073848
Reduced:	ClON3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	471.179421
ΔH_f, kcal/mol:	74.49
Dipole, Da:	4.28
IP(EA), eV:	-9.28(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-oxo-3-(2-pyridin-2-ylpropan-2-ylamino)propyl]benzoate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](C(=C1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)O)N=[N+]=[N-]

DOS

IR

Vibrations