Geometry & MOs

Info

ID:

298518

PubChem CID:

117650544

Reduced:

N2O2C21H34 (1)

Stoich.:

A2B2C21D34 (1)

Weight, g/mol:

553.372701

ΔHf, kcal/mol:

-113.46

Dipole, Da:

0.73

IP(EA), eV:

 -8.82(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-[[(3R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]-3-methylbutyl] N-(6-aminohexyl)carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCNC(=O)C([C@@H](CC2CCCCC2)N)OC)C

DOS

IR

Vibrations