Geometry & MOs

Info

ID:	314219
PubChem CID:	126620946
Reduced:	BrN2H5C9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	518.173625
ΔH_f, kcal/mol:	74.99
Dipole, Da:	7.13
IP(EA), eV:	-9.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(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 1,1-dioxide

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN2)C(=C1C#N)Br

DOS

IR

Vibrations