Geometry & MOs

Info

ID:

444923

PubChem CID:

135263977

Reduced:

NO2C14H15 (2)

Stoich.:

AB2C14D15 (2)

Weight, g/mol:

525.27399

ΔHf, kcal/mol:

-128.23

Dipole, Da:

4.54

IP(EA), eV:

 -9.16(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-N-hydroxy-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)N2CCC3=C(C2)C=C(C=C3)[C@@H](CC(=O)O)C4=CN=C(C=C4C)OC

DOS

IR

Vibrations