Geometry & MOs

Info

ID:

43953

PubChem CID:

10322386

Reduced:

N4O5C25H32 (1)

Stoich.:

A4B5C25D32 (1)

Weight, g/mol:

468.204256

ΔHf, kcal/mol:

-146.39

Dipole, Da:

3.66

IP(EA), eV:

 -8.63(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methylsulfinyl-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)OC)OC2=CC3=C(C=C2)OC=C3)N4C=C(N=C4)N

DOS

IR

Vibrations