Geometry & MOs

Info

ID:

309169

PubChem CID:

126539410

Reduced:

NF4H21C27 (1)

Stoich.:

AB4C21D27 (1)

Weight, g/mol:

513.305015

ΔHf, kcal/mol:

-106.44

Dipole, Da:

3.72

IP(EA), eV:

 -9.24(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)C4=CC(=C(C=C4)F)F)F)N

DOS

IR

Vibrations