Geometry & MOs

Info

ID:

317127

PubChem CID:

126632578

Reduced:

NSO2H15C23 (1)

Stoich.:

ABC2D15E23 (1)

Weight, g/mol:

369.08235

ΔHf, kcal/mol:

23.9

Dipole, Da:

5.08

IP(EA), eV:

 -8.38(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-methyl-16lambda6-thia-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene 16,16-dioxide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=CC4=C(C=C31)S(=O)(=O)C5=CC6=CC=CC=C6C=C54

DOS

IR

Vibrations