Geometry & MOs

Info

ID:

320193

PubChem CID:

126658652

Reduced:

N3O5C23H41 (1)

Stoich.:

A3B5C23D41 (1)

Weight, g/mol:

527.320665

ΔHf, kcal/mol:

-224.37

Dipole, Da:

2.99

IP(EA), eV:

 -9.09(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6-[(2-aminoacetyl)amino]-2-[[(3R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]hexanoate

Drug info:

PubChemData

Smile

CC(=CCCC(C)(C)C1C(C(CC[C@]12CO2)OC(=O)NCCCNC(=O)CN)OC)C

DOS

IR

Vibrations