Geometry & MOs

Info

ID:

432489

PubChem CID:

135172622

Reduced:

O8C43H56 (1)

Stoich.:

A8B43C56 (1)

Weight, g/mol:

451.248249

ΔHf, kcal/mol:

-334.25

Dipole, Da:

1.11

IP(EA), eV:

 -8.95(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R,10S)-7-butyl-10-N-(3-fluoropropyl)-6-N-hydroxy-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)C

DOS

IR

Vibrations