Geometry & MOs

Info

ID:

186848

PubChem CID:

77493238

Reduced:

O3N5C22H31 (1)

Stoich.:

A3B5C22D31 (1)

Weight, g/mol:

735.311557

ΔHf, kcal/mol:

-7.54

Dipole, Da:

3.58

IP(EA), eV:

 -9.38(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-cyanoanilino]-1-[4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

COCCCN1C(=C(C=N1)C(=O)NC2CCC3CC4C2CC(C3)(C4)O)N5C=CC=N5

DOS

IR

Vibrations