Geometry & MOs

Info

ID:

189362

PubChem CID:

77844804

Reduced:

FSO3N4H23C25 (1)

Stoich.:

ABC3D4E23F25 (1)

Weight, g/mol:

838.466464

ΔHf, kcal/mol:

-52.66

Dipole, Da:

4.79

IP(EA), eV:

 -9.02(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethylhexyl 2-[[4-[2-(2-ethylhexoxycarbonyl)anilino]-6-[2-[methyl-bis(trimethylsilyloxy)silyl]ethylamino]-1,3,5-triazin-2-yl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)O)NS(=O)(=O)C2=CC=CC=C2C3=CC(=C(C=C3)C4=CN=C(C=N4)N)F

DOS

IR

Vibrations