Geometry & MOs

Info

ID:	343442
PubChem CID:	127266615
Reduced:	OSN3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	323.135528
ΔH_f, kcal/mol:	-17.53
Dipole, Da:	1.2
IP(EA), eV:	-8.84(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluorophenyl)-N-[2-(thietan-3-yl)ethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1C(C)NC(=O)CC3CSC3

DOS

IR

Vibrations