Geometry & MOs

Info

ID:	237402
PubChem CID:	92719049
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-168.89
Dipole, Da:	4.99
IP(EA), eV:	-9.76(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(C)C)OC(=O)C1=CC=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations