Geometry & MOs

Info

ID:

444945

PubChem CID:

135264031

Reduced:

O3N4C32H34 (1)

Stoich.:

A3B4C32D34 (1)

Weight, g/mol:

536.138196

ΔHf, kcal/mol:

-45.52

Dipole, Da:

6.21

IP(EA), eV:

 -9.24(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(3,5-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)O)C3=CC4=C(C[C@H]5CC[C@@H]4N5C(=O)C6=C(C=CC(=C6)C)C)C=C3)C)N=N1

DOS

IR

Vibrations