Geometry & MOs

Info

ID:

164854

PubChem CID:

74462220

Reduced:

SO4N6C16H21 (1)

Stoich.:

AB4C6D16E21 (1)

Weight, g/mol:

357.168856

ΔHf, kcal/mol:

-16.18

Dipole, Da:

2.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.959693

Charge, e:

 0

Chem-info

IUPAC name:

3-(5-cyano-2,4-dimethyl-6-oxopiperidin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CN3C(=O)[NH+]4C=CC=CC4=N3

DOS

IR

Vibrations