Geometry & MOs

Info

ID:	369132
PubChem CID:	127331364
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	263.098
ΔH_f, kcal/mol:	-21.4
Dipole, Da:	3.71
IP(EA), eV:	-8.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzothiophen-3-yl(1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1COCC1CN2C(=CC=N2)NC(=O)C3CSC4=CC=CC=C34

DOS

IR

Vibrations