Geometry & MOs

Info

ID:	306152
PubChem CID:	125001795
Reduced:	FSN3O3C16H18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-105.86
Dipole, Da:	2.82
IP(EA), eV:	-9.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

C1CCO[C@@H](C1)C2=NC=C(C=N2)CNS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations