Geometry & MOs

Info

ID:

314261

PubChem CID:

126621072

Reduced:

SO4N6C27H28 (1)

Stoich.:

AB4C6D27E28 (1)

Weight, g/mol:

560.220575

ΔHf, kcal/mol:

-25.92

Dipole, Da:

2.46

IP(EA), eV:

 -8.4(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[6-morpholin-4-yl-4-(5-propoxy-1H-indol-4-yl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)CC2=CC3=C(N=C2)OC4=C3N=C(N=C4N5CCOCC5)C6=C7C=CNC7=CC=C6

DOS

IR

Vibrations