Geometry & MOs

Info

ID:

176946

PubChem CID:

76116382

Reduced:

SN3O6C34H35 (1)

Stoich.:

AB3C6D34E35 (1)

Weight, g/mol:

501.185963

ΔHf, kcal/mol:

-127.46

Dipole, Da:

3.8

IP(EA), eV:

 -8.88(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-2-[4-[4-[4-[2-(hydroxymethylamino)-2-oxoethoxy]-6-oxocyclohexa-2,4-dien-1-ylidene]-6-methoxy-1,3,5-triazinan-2-ylidene]-3-oxocyclohexa-1,5-dien-1-yl]oxyacetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNC(CC2=CC=C(C=C2)OC3=NC4=CC=CC=C4C=C3)CO)O)OCC5=CC=CC=C5

DOS

IR

Vibrations