Geometry & MOs

Info

ID:

327607

PubChem CID:

126690500

Reduced:

IN4O7H35C40 (1)

Stoich.:

AB4C7D35E40 (1)

Weight, g/mol:

688.419986

ΔHf, kcal/mol:

-107.8

Dipole, Da:

9.51

IP(EA), eV:

 -8.85(-3.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[[2-(4-hydroxy-2-methylcyclohexyl)acetyl]amino]cyclohex-2-ene-1-carbonyl]-[[4-[5-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazolidin-3-yl]cyclohexyl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)CN(CC(O)O)C(=O)C5=CC=C(C=C5)NC(=O)CC6=C(C=CC=C6OI)OC

DOS

IR

Vibrations