Geometry & MOs

Info

ID:

444949

PubChem CID:

135264036

Reduced:

O3N5C32H37 (1)

Stoich.:

A3B5C32D37 (1)

Weight, g/mol:

536.138196

ΔHf, kcal/mol:

-11.27

Dipole, Da:

7.22

IP(EA), eV:

 -8.73(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(2,4-dichlorobenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@@H](CC(=O)N(C)OC)C3=CC4=C(CCN(C4)C(=O)C5=CC(=C(C=C5)C)C)C=C3)C)N=N1

DOS

IR

Vibrations