Geometry & MOs

Info

ID:

150748

PubChem CID:

53790444

Reduced:

NO2C23H27 (1)

Stoich.:

AB2C23D27 (1)

Weight, g/mol:

652.342484

ΔHf, kcal/mol:

-35.47

Dipole, Da:

5.03

IP(EA), eV:

 -9.26(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(aminomethyl)-N-[(2R)-1-[[(2R)-3-(4-fluorophenyl)-1-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-oxopropan-2-yl]-methylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1CCOCC=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations