Geometry & MOs

Info

ID:

134938

PubChem CID:

51786437

Reduced:

ClN2O2C32H37 (1)

Stoich.:

AB2C2D32E37 (1)

Weight, g/mol:

532.285656

ΔHf, kcal/mol:

-59.14

Dipole, Da:

3.98

IP(EA), eV:

 -9.27(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-2-phenylbutanamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)N(C2=CC=CC=C2Cl)[C@H]([C@@H](C)C3=CC=CC=C3)C(=O)NC4CCCCC4

DOS

IR

Vibrations