Geometry & MOs

Info

ID:

328457

PubChem CID:

126723123

Reduced:

SO5N7C27H31 (1)

Stoich.:

AB5C7D27E31 (1)

Weight, g/mol:

267.183444

ΔHf, kcal/mol:

-119.58

Dipole, Da:

6.68

IP(EA), eV:

 -8.42(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-3-[(2R,3aS,5R,7aS)-3a-ethyl-2-[(1R)-1-hydroxyethyl]-2,3,5,6,7,7a-hexahydrofuro[3,2-b]pyran-5-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CC=CC=N3)/C(=C/N=C(C(C)(C)OC(=O)CC(C(=O)O)N)N=C)/C

DOS

IR

Vibrations