Geometry & MOs

Info

ID:

46867

PubChem CID:

10528000

Reduced:

O4N5C25H27 (1)

Stoich.:

A4B5C25D27 (1)

Weight, g/mol:

461.250074

ΔHf, kcal/mol:

-105.26

Dipole, Da:

4.68

IP(EA), eV:

 -9.04(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl (3R,4R)-4-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino](114C)butanoate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC(CC(=O)O)C2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)C(=N)N

DOS

IR

Vibrations