Geometry & MOs

Info

ID:

219717

PubChem CID:

85164663

Reduced:

BNaOC17H32 (2)

Stoich.:

ABCD17E32 (2)

Weight, g/mol:

572.295848

ΔHf, kcal/mol:

-103.57

Dipole, Da:

82.94

IP(EA), eV:

 -4.7(-4.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(12-benzyl-9-methyl-2,5,8,11,14-pentaoxo-6-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl)amino]propanoate

Drug info:

PubChemData

Smile

[B-]1(C2CCCC1CCC2)(CCCCCCCC=CCCCCCCC[B-]3(C4CCCC3CCC4)OC)OC.[Na+].[Na+]

DOS

IR

Vibrations