Geometry & MOs

Info

ID:

449767

PubChem CID:

135301280

Reduced:

O3N5C23H34 (2)

Stoich.:

A3B5C23D34 (2)

Weight, g/mol:

429.182124

ΔHf, kcal/mol:

-229.74

Dipole, Da:

8.55

IP(EA), eV:

 -8.97(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-1-[2-[(2R,3R,6S)-2-hydroxy-3-methyl-6-[2-(2-oxopropylsulfanyl)ethyl]oxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C1=NC=C(N1)C2=CC=C(C=C2)C3=CN=C(C=N3)C4=CN=C(N4)[C@H](C(C)(C)C)NC(=O)C(C)(C(C)(C)C)OC(=O)N(C)C)NC(=O)C(C)(C(C)(C)C)OC(=O)N(C)C

DOS

IR

Vibrations