Geometry & MOs

Info

ID:

310108

PubChem CID:

126574447

Reduced:

NF2O7C18H19 (1)

Stoich.:

AB2C7D18E19 (1)

Weight, g/mol:

437.175405

ΔHf, kcal/mol:

-370.42

Dipole, Da:

6.93

IP(EA), eV:

 -10.12(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3S)-2-amino-3,4a-difluoro-3-methyl-5,7-dihydro-4H-furo[3,4-b]pyridin-7a-yl]-4-fluorophenyl]-5-(trideuteriomethoxy)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(OC(=O)C(C(=O)O1)C[C@@H]2COC[C@]2(C3=C(C(=CC=C3)F)F)NC(=O)O)C

DOS

IR

Vibrations