Geometry & MOs

Info

ID:

324933

PubChem CID:

126678746

Reduced:

N8O9H44C50 (1)

Stoich.:

A8B9C44D50 (1)

Weight, g/mol:

372.200885

ΔHf, kcal/mol:

-63.2

Dipole, Da:

2.32

IP(EA), eV:

 -8.66(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-6-amino-1-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]hexan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(CC(C1)C(=O)NC2=CC=CC(=C2)C3=CC(=NO3)C(=O)NCC4=CC=C(C=C4)C(=O)NO)C5=C6C7=CC=CC=C7N(C6=CC=C5)CC8=CC(=NO8)C(=O)NCC9=CC=C(C=C9)C(=O)NO

DOS

IR

Vibrations