Geometry & MOs

Info

ID:

206683

PubChem CID:

80283107

Reduced:

SO2N3C14H25 (1)

Stoich.:

AB2C3D14E25 (1)

Weight, g/mol:

297.151098

ΔHf, kcal/mol:

-78.47

Dipole, Da:

4.28

IP(EA), eV:

-9.07(-0.01)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCNCCCS(=O)(=O)N(CC)CC1=CC=CC(=N1)C

DOS

IR

Vibrations