Geometry & MOs

Info

ID:	444939
PubChem CID:	135264023
Reduced:	Cl2O3N4H26C28 (1)
Stoich.:	A2B3C4D26E28 (1)
Weight, g/mol:	468.216141
ΔH_f, kcal/mol:	-43.95
Dipole, Da:	5.14
IP(EA), eV:	-9.17(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2-benzoyl-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(CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5=C(C=CC(=C5)Cl)Cl)C=C3)C)N=N1

DOS

IR

Vibrations