Geometry & MOs

Info

ID:	314259
PubChem CID:	126621070
Reduced:	NOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	502.17871
ΔH_f, kcal/mol:	-22.38
Dipole, Da:	1.25
IP(EA), eV:	-7.92(0.04)
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-oxide

Drug info:

PubChemData

Smile

CCC(C)(C)N(C)C1=CC2=C(C=C1)C(=CC=C2)OC

DOS

IR

Vibrations