Geometry & MOs

Info

ID:

17325

PubChem CID:

492979

Reduced:

Cl2F3N5O5H20C22 (1)

Stoich.:

A2B3C5D5E20F22 (1)

Weight, g/mol:

561.079359

ΔHf, kcal/mol:

-326.06

Dipole, Da:

3.73

IP(EA), eV:

 -9.21(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,5-dichloro-2-hydroxyphenyl)-3-[[2-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)-5-(trifluoromethyl)benzoyl]amino]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CN=C(N1)NC2=CC(=CC(=C2)C(F)(F)F)C(=O)NCC(=O)NC(CC(=O)O)C3=C(C(=CC(=C3)Cl)Cl)O

DOS

IR

Vibrations