Geometry & MOs

Info

ID:

219754

PubChem CID:

85164852

Reduced:

N2O7C34H44 (1)

Stoich.:

A2B7C34D44 (1)

Weight, g/mol:

592.394833

ΔHf, kcal/mol:

-273.93

Dipole, Da:

4.51

IP(EA), eV:

 -8.79(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-butan-2-yl-4,10,11,14-tetramethyl-13-propan-2-yl-3-propyl-1,4,8,11,14,17-hexazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC#CC1=C(C=CC(=C1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)OCCC3CCCCC3

DOS

IR

Vibrations