Geometry & MOs

Info

ID:

316079

PubChem CID:

126629960

Reduced:

Cl3N5O5C32H42 (1)

Stoich.:

A3B5C5D32E42 (1)

Weight, g/mol:

457.13019

ΔHf, kcal/mol:

-221.37

Dipole, Da:

3.63

IP(EA), eV:

 -9.2(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[(2S)-2-propan-2-ylpentanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H](N1)C(=O)OCC(Cl)(Cl)Cl)NC(=O)[C@H](C(C)C)NC(=O)CCC2=CN=C(C=C2)C3=CC(=CC=C3)C(C)C

DOS

IR

Vibrations