Geometry & MOs

Info

ID:

176948

PubChem CID:

76116384

Reduced:

N3O5C31H37 (1)

Stoich.:

A3B5C31D37 (1)

Weight, g/mol:

636.254377

ΔHf, kcal/mol:

-143.74

Dipole, Da:

3.01

IP(EA), eV:

 -8.74(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(CC)COC1=CC(=O)C(=C2NC(NC(=C3C=CC(=CC3=O)OC)N2)C4=CC=C(C=C4)OC)C=C1

DOS

IR

Vibrations