Geometry & MOs

Info

ID:

220180

PubChem CID:

85165332

Reduced:

P3N5C17O17H28 (1)

Stoich.:

A3B5C17D17E28 (1)

Weight, g/mol:

667.26019

ΔHf, kcal/mol:

-886.94

Dipole, Da:

5.2

IP(EA), eV:

 -9.36(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-benzyl-3-[(3,5-dinitrophenyl)methoxy]-9-methyl-6-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)CC4C(C(C(C(O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N

DOS

IR

Vibrations