Geometry & MOs

Info

ID:	217233
PubChem CID:	85087477
Reduced:	N3O5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	345.067094
ΔH_f, kcal/mol:	-133.64
Dipole, Da:	10.37
IP(EA), eV:	-8.2(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(benzenesulfonyl)-3-methoxy-3,9a-dihydro-[1,2]dioxino[3,4-b]indole

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3=C(CC4N2C(=O)OC4)NC=N3

DOS

IR

Vibrations