Geometry & MOs

Info

ID:

409411

PubChem CID:

135082192

Reduced:

ON3C8H9 (2)

Stoich.:

AB3C8D9 (2)

Weight, g/mol:

401.168365

ΔHf, kcal/mol:

26.31

Dipole, Da:

6.23

IP(EA), eV:

 -9.54(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(3aR,5R,6R,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-difluoro-lambda4-sulfanyl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CN(C)C(=O)N1C(C2=CC=CC=C2N(C1C#N)C(=O)N(C)C)C#N

DOS

IR

Vibrations