Geometry & MOs

Info

ID:

432495

PubChem CID:

135172628

Reduced:

S2N7O11C40H65 (1)

Stoich.:

A2B7C11D40E65 (1)

Weight, g/mol:

536.301013

ΔHf, kcal/mol:

-404.53

Dipole, Da:

6.42

IP(EA), eV:

 -8.85(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R,10S)-7-butyl-10-N-[2-(5-fluoropentylamino)-2-oxoethyl]-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

CCOC(C)SCC(=O)NCC(C(=O)NCCCNC(=O)CNC(=O)C1CC2=CC=C(C=C2)OCCCC([C@H](C(=O)N1)CC(C)C)C(=O)NO)NC(=O)CSC(C)OCC

DOS

IR

Vibrations