Geometry & MOs

Info

ID:

432645

PubChem CID:

135172781

Reduced:

N5O8C42H69 (1)

Stoich.:

A5B8C42D69 (1)

Weight, g/mol:

307.153206

ΔHf, kcal/mol:

-361.05

Dipole, Da:

12.28

IP(EA), eV:

 -9.24(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N'-hydroxy-2-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanediamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N[C@@H](CC1C(=C1C)C)[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations