Geometry & MOs

Info

ID:	171524
PubChem CID:	75389092
Reduced:	NO3F4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	289.053942
ΔH_f, kcal/mol:	-325.56
Dipole, Da:	2.45
IP(EA), eV:	-9.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=C(C=C1)F)NC(=O)CC(F)(F)F

DOS

IR

Vibrations