Geometry & MOs

Info

ID:

219528

PubChem CID:

85149104

Reduced:

O3N7C32H33 (1)

Stoich.:

A3B7C32D33 (1)

Weight, g/mol:

559.304621

ΔHf, kcal/mol:

32.4

Dipole, Da:

11.0

IP(EA), eV:

 -8.83(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(dibenzylamino)-4-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonyl-7-oxospiro[1,4-diazabicyclo[3.2.0]heptane-3,1'-cyclopropane]-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5NNNN5)C(=O)N(C=C2)CC6=CC=CC=C6C(=O)O

DOS

IR

Vibrations