Geometry & MOs

Info

ID:	197270
PubChem CID:	78945609
Reduced:	SN2O2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	6.03
Dipole, Da:	6.25
IP(EA), eV:	-8.99(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(SC=C1)C(=O)NCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations