Geometry & MOs

Info

ID:

327602

PubChem CID:

126690482

Reduced:

N2F3O6H37C41 (1)

Stoich.:

A2B3C6D37E41 (1)

Weight, g/mol:

690.39925

ΔHf, kcal/mol:

-315.13

Dipole, Da:

8.37

IP(EA), eV:

 -9.04(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[2-(3,4-dihydroxycyclohexen-1-yl)acetyl]amino]cyclohexanecarbonyl]-[[4-[5-[4-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,4-oxadiazolidin-3-yl]cyclohex-3-en-1-yl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CN(CCO)C(=O)C4=C(C=C(C=C4)NC(=O)CC5=C(C=C(C=C5)OC)C(F)(F)F)C

DOS

IR

Vibrations