Geometry & MOs

Info

ID:	418249
PubChem CID:	135103944
Reduced:	SN2O6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-242.65
Dipole, Da:	7.69
IP(EA), eV:	-9.08(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

22-oxa-3,10,16,17,18-pentazatetracyclo[21.2.2.115,18.03,8]octacosa-1(25),15(28),16,23,26-pentaene-2,11-dione

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=C(C=CC=C2O)O

DOS

IR

Vibrations