Geometry & MOs

Info

ID:

417922

PubChem CID:

135103072

Reduced:

SO3N4C18H26 (1)

Stoich.:

AB3C4D18E26 (1)

Weight, g/mol:

533.263819

ΔHf, kcal/mol:

-104.49

Dipole, Da:

2.56

IP(EA), eV:

 -9.2(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-methoxy-25-methyl-2,13,21-trioxa-5,16,17,18,29-pentazahexacyclo[27.2.2.11,5.115,18.07,12.022,27]pentatriaconta-7(12),8,10,15(34),16,22(27),23,25-octaen-28-one

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)C(=O)C(CC(C)C)NC(=O)C2=CC=CS2

DOS

IR

Vibrations