Geometry & MOs

Info

ID:	138731
PubChem CID:	52416842
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	322.078742
ΔH_f, kcal/mol:	-87.5
Dipole, Da:	3.7
IP(EA), eV:	-9.28(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]oxamide

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=CC=C2)C(=O)NC[C@H](C3=CSC=C3)O

DOS

IR

Vibrations