Geometry & MOs

Info

ID:

189894

PubChem CID:

77921257

Reduced:

ClSN4O4C20H25 (1)

Stoich.:

ABC4D4E20F25 (1)

Weight, g/mol:

651.320289

ΔHf, kcal/mol:

-89.1

Dipole, Da:

13.74

IP(EA), eV:

 -9.32(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-11,16-dimethyl-9,12,17-trioxo-6-(3-pyridin-4-ylpropanoylamino)-2-thia-8,11,16-triazatricyclo[16.3.1.04,8]docosa-1(21),18(22),19-triene-15-carboxamide

Drug info:

PubChemData

Smile

COC1CC(CC1C(=O)NC2(CC2)C#N)S(=O)(=O)C3=C(C=C(C=C3)N4CCCN4)Cl

DOS

IR

Vibrations