Geometry & MOs

Info

ID:

299512

PubChem CID:

117687132

Reduced:

SN3O4C26H33 (1)

Stoich.:

AB3C4D26E33 (1)

Weight, g/mol:

566.292677

ΔHf, kcal/mol:

-99.64

Dipole, Da:

3.27

IP(EA), eV:

 -8.37(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1CC2=C(CO1)C(=NC(=C2C#N)SCCC3=CC(=C(C=C3)OC)OC)N4CCOCC4

DOS

IR

Vibrations