Geometry & MOs

Info

ID:

161967

PubChem CID:

57393193

Reduced:

N2O3H20C25 (1)

Stoich.:

A2B3C20D25 (1)

Weight, g/mol:

584.186019

ΔHf, kcal/mol:

7.59

Dipole, Da:

2.6

IP(EA), eV:

 -8.73(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-(4-chloroanilino)-3-oxopropyl]-3-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-5-propan-2-yloxybenzoic acid

Drug info:

PubChemData

Smile

C=CCN1C2=CC=CC=C2C3(C1=O)C4=C(C5N3CCC5)C(=O)C6=CC=CC=C6C4=O

DOS

IR

Vibrations