Geometry & MOs

Info

ID:

309916

PubChem CID:

126566934

Reduced:

S4N15O18C41H45 (1)

Stoich.:

A4B15C18D41E45 (1)

Weight, g/mol:

540.19844

ΔHf, kcal/mol:

-512.55

Dipole, Da:

7.83

IP(EA), eV:

 -9.77(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(imidazol-1-ylmethyl)-2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-3-yl]phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC.CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC.CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

DOS

IR

Vibrations