Geometry & MOs

Info

ID:

314223

PubChem CID:

126620953

Reduced:

FSO3N6C27H29 (1)

Stoich.:

ABC3D6E27F29 (1)

Weight, g/mol:

520.169288

ΔHf, kcal/mol:

-17.3

Dipole, Da:

4.16

IP(EA), eV:

 -8.4(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-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

CCS(=O)CCN(C)CC1=CC2=C(N=C1)OC3=C2N=C(N=C3N4CCOCC4)C5=C(C=CC6=C5C=CN6)F

DOS

IR

Vibrations