Geometry & MOs

Info

ID:

402860

PubChem CID:

135057586

Reduced:

N2O3C23H24 (1)

Stoich.:

A2B3C23D24 (1)

Weight, g/mol:

502.192629

ΔHf, kcal/mol:

-86.35

Dipole, Da:

3.82

IP(EA), eV:

 -8.7(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-16-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CCCCC(=O)OC)C(=O)NC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations