Geometry & MOs

Info

ID:

327426

PubChem CID:

126689873

Reduced:

N7O9C38H69 (1)

Stoich.:

A7B9C38D69 (1)

Weight, g/mol:

270.194343

ΔHf, kcal/mol:

-473.94

Dipole, Da:

7.85

IP(EA), eV:

 -8.76(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-N-[(2S)-1-oxobutan-2-yl]oct-6-enamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)(C)OC(=O)C)C(=O)N[C@@H](C(C)C)C(=O)NC)NC(=O)C([C@@H]([C@H](C)C/C=C/C)O)N(C)C(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations