Geometry & MOs

Info

ID:

215028

PubChem CID:

85084025

Reduced:

O6C43H60 (1)

Stoich.:

A6B43C60 (1)

Weight, g/mol:

673.168342

ΔHf, kcal/mol:

-232.66

Dipole, Da:

3.66

IP(EA), eV:

 -9.07(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[11-[(4-methoxyphenoxy)carbonylamino]-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OC(=O)CCCC(=O)OC5CCC6(C7CCC8(C(C7CC=C6C5)CCC8=O)C)C)C

DOS

IR

Vibrations