Geometry & MOs

Info

ID:

378280

PubChem CID:

134224356

Reduced:

FN4O4C32H33 (1)

Stoich.:

AB4C4D32E33 (1)

Weight, g/mol:

842.557088

ΔHf, kcal/mol:

-54.95

Dipole, Da:

5.27

IP(EA), eV:

 -8.85(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethylhexyl 4-[[4-[[4-[4-[(tert-butylamino)methyl]anilino]-6-[4-(2-ethylhexoxymethyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]methylamino]benzoate

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C(OC(=C1)C)C2=CC=C(C=C2)F)C(=O)NC)C3=CC(=CC=C3)C(=O)NC(C)(C)C4=NOC=N4

DOS

IR

Vibrations