Geometry & MOs

Info

ID:

59652

PubChem CID:

24891523

Reduced:

N3O3C25H31 (1)

Stoich.:

A3B3C25D31 (1)

Weight, g/mol:

514.170848

ΔHf, kcal/mol:

-56.94

Dipole, Da:

3.57

IP(EA), eV:

 -9.05(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(4-oxo-2,3,5,6-tetrahydro-1H-pyrido[2,3-b][1,5]diazocin-8-yl)prop-2-enamide;methylsulfonylmethane

Drug info:

PubChemData

Smile

COCCNC(=O)[C@H]1C[C@@H]1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations