Geometry & MOs

Info

ID:

44318

PubChem CID:

10502703

Reduced:

N3O6C22H27 (1)

Stoich.:

A3B6C22D27 (1)

Weight, g/mol:

429.236267

ΔHf, kcal/mol:

-216.52

Dipole, Da:

4.48

IP(EA), eV:

 -9.61(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl N-[(E,1R)-1-[(3S,4S,5S,6R)-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-hydroxy-3,5-dimethyl-2-oxooxan-3-yl]-4-hydroxy-3-methylbut-2-enyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)C1(CC1)N2CC[C@H](C2=O)NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations