Geometry & MOs

Info

ID:

445755

PubChem CID:

135269339

Reduced:

ClN4O4C26H29 (1)

Stoich.:

AB4C4D26E29 (1)

Weight, g/mol:

544.170032

ΔHf, kcal/mol:

-117.59

Dipole, Da:

5.86

IP(EA), eV:

 -9.02(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]-5-(methylamino)-2-[[3-(trifluoromethoxy)phenyl]methoxy]-1,2-dihydroimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC(=C1)COC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)CCCO

DOS

IR

Vibrations