Geometry & MOs

Info

ID:

299511

PubChem CID:

117687131

Reduced:

SO4N5C33H47 (1)

Stoich.:

AB4C5D33E47 (1)

Weight, g/mol:

483.219178

ΔHf, kcal/mol:

-150.06

Dipole, Da:

8.36

IP(EA), eV:

 -8.44(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CC(N1CCOC)C)C2=NC(=C(C3=C2COC(C3)(C)C)C#N)SCCC4=CC=C(C=C4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations