Geometry & MOs

Info

ID:

223892

PubChem CID:

85335711

Reduced:

F2O4N5C36H45 (1)

Stoich.:

A2B4C5D36E45 (1)

Weight, g/mol:

649.368678

ΔHf, kcal/mol:

-224.68

Dipole, Da:

7.87

IP(EA), eV:

 -9.47(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[2-[2-[[1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CCCC1(C(CCN1C(=O)OCNCC2=CC=CC=C2)(C3=CC(=CC(=C3)F)F)N)NC(=O)C4=CC(=CC=C4)C(=O)N(CCC)CCC

DOS

IR

Vibrations