Geometry & MOs

Info

ID:	177289
PubChem CID:	76161129
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	378.137971
ΔH_f, kcal/mol:	-75.58
Dipole, Da:	3.73
IP(EA), eV:	-9.47(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-(2-methoxyacetyl)azetidine-2-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3C(N(C3C#N)S(=O)(=O)C)CO

DOS

IR

Vibrations