Geometry & MOs

Info

ID:

51453

PubChem CID:

12014123

Reduced:

NSO6C34H37 (1)

Stoich.:

ABC6D34E37 (1)

Weight, g/mol:

553.249809

ΔHf, kcal/mol:

-172.3

Dipole, Da:

9.17

IP(EA), eV:

 -9.26(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] (2S)-2-[(1S)-1-hydroxy-2-phenylmethoxyethyl]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)COC(=O)[C@@H](CC3=CC=CC=C3)[C@@H](COCC4=CC=CC=C4)O

DOS

IR

Vibrations