Geometry & MOs

Info

ID:	314237
PubChem CID:	126620982
Reduced:	INOC9H10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	570.166094
ΔH_f, kcal/mol:	1.66
Dipole, Da:	0.87
IP(EA), eV:	-8.19(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-morpholin-4-yl-4-[6-(trifluoromethyl)-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

CN(C1=CC2=C(C=C1)OCC2)I

DOS

IR

Vibrations