Geometry & MOs

Info

ID:	173515
PubChem CID:	75647682
Reduced:	O3N5H14C17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	344.137222
ΔH_f, kcal/mol:	100.37
Dipole, Da:	5.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.334510
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(prop-2-enylamino)ethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[N-]C(=NOC(=O)C2=CC=CC=C2)C3=NON=C3N

DOS

IR

Vibrations