Geometry & MOs

Info

ID:

189157

PubChem CID:

77823795

Reduced:

N3O5C40H51 (1)

Stoich.:

A3B5C40D51 (1)

Weight, g/mol:

530.247538

ΔHf, kcal/mol:

-161.95

Dipole, Da:

2.6

IP(EA), eV:

 -8.13(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]pyridin-2-yl]-N-methylmethanesulfinamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)N(CC2CN(C3=CC=CC=C23)CCCOC)C4CC4)C5=CC(=CC(=C5)C6=CC=CC=C6)OC

DOS

IR

Vibrations