Geometry & MOs

Info

ID:

44770

PubChem CID:

10505852

Reduced:

NO4C33H35 (1)

Stoich.:

AB4C33D35 (1)

Weight, g/mol:

509.176661

ΔHf, kcal/mol:

-64.68

Dipole, Da:

3.01

IP(EA), eV:

 -9.11(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2R)-2-acetamido-3-sulfanylpropanoyl]-N-[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2[C@H]([C@@H]([C@@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations