Geometry & MOs

Info

ID:	63362
PubChem CID:	26758172
Reduced:	SO3N7C24H29 (1)
Stoich.:	AB3C7D24E29 (1)
Weight, g/mol:	316.105922
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	2.19
IP(EA), eV:	-8.77(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations