Geometry & MOs

Info

ID:	369085
PubChem CID:	127331242
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	2.39
Dipole, Da:	3.64
IP(EA), eV:	-8.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations