Geometry & MOs

Info

ID:	84286
PubChem CID:	49865248
Reduced:	N2O7C26H26 (1)
Stoich.:	A2B7C26D26 (1)
Weight, g/mol:	444.11688
ΔH_f, kcal/mol:	-204.98
Dipole, Da:	9.67
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-[(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)CONC(=O)CCC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations