Geometry & MOs

Info

ID:

219652

PubChem CID:

85164335

Reduced:

N2O7H30C31 (1)

Stoich.:

A2B7C30D31 (1)

Weight, g/mol:

542.369287

ΔHf, kcal/mol:

-195.32

Dipole, Da:

6.61

IP(EA), eV:

 -8.46(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(2,3-diamino-3-oxopropyl)amino]methyl]-N-[1-(dodecylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC2C(=O)NC(=CC3=CC4=C(C(=C3OCC5=CC=CC=C5)C)OCO4)C(=O)N2C(=O)C)OC

DOS

IR

Vibrations