Geometry & MOs

Info

ID:

186249

PubChem CID:

77411540

Reduced:

F3O4N7C23H32 (1)

Stoich.:

A3B4C7D23E32 (1)

Weight, g/mol:

760.46741

ΔHf, kcal/mol:

-316.53

Dipole, Da:

5.89

IP(EA), eV:

 -8.81(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-[2-[[2-(3-fluoro-4-methylphenyl)acetyl]amino]-3,4-dihydroxyoctadecoxy]-3,4,5-trihydroxyoxan-2-yl]methyl]-2-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=C1N)NC(CCCNC(=O)OC(C)(C)C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)N

DOS

IR

Vibrations