Geometry & MOs

Info

ID:

146461

PubChem CID:

53693875

Reduced:

N3O8C26H29 (1)

Stoich.:

A3B8C26D29 (1)

Weight, g/mol:

575.239828

ΔHf, kcal/mol:

-254.51

Dipole, Da:

3.69

IP(EA), eV:

 -9.55(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(methylamino)-2-oxoethyl]phenyl]methyl (2S)-6-amino-2-[(4-chlorophenyl)methoxycarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N2[C@@H](CC1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)OCC=C)C(=O)OCC=C

DOS

IR

Vibrations