Geometry & MOs

Info

ID:

179751

PubChem CID:

76526700

Reduced:

SO3N7C18H25 (1)

Stoich.:

AB3C7D18E25 (1)

Weight, g/mol:

612.222312

ΔHf, kcal/mol:

-42.41

Dipole, Da:

7.25

IP(EA), eV:

 -8.82(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

magnesium;3-(16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19,21-undecaen-22-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(CC1CCC(=O)N1)S(=O)(=O)N2CCN(CC23CC3)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations