Geometry & MOs

Info

ID:

135229

PubChem CID:

51836987

Reduced:

N3O6C26H29 (1)

Stoich.:

A3B6C26D29 (1)

Weight, g/mol:

508.17199

ΔHf, kcal/mol:

-124.3

Dipole, Da:

7.27

IP(EA), eV:

 -9.12(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2-[[(1S)-1-(1,3-benzodioxol-5-yl)-2-(tert-butylamino)-2-oxoethyl]-[(5-methylfuran-2-yl)methyl]carbamoyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=C(C=C1)C)N(CC2=CC=C(O2)C)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations