Geometry & MOs

Info

ID:

187074

PubChem CID:

77529121

Reduced:

ClSO3N5C24H28 (1)

Stoich.:

ABC3D5E24F28 (1)

Weight, g/mol:

465.183461

ΔHf, kcal/mol:

-88.37

Dipole, Da:

4.1

IP(EA), eV:

 -8.99(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-methyl-4-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CC2CN3C(=O)C=CC4=C3N2C(=O)C=C4)NCC5=CC6=C(C=N5)OCS6.Cl

DOS

IR

Vibrations