Geometry & MOs

Info

ID:	138730
PubChem CID:	52416817
Reduced:	NO2S2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-31.86
Dipole, Da:	2.13
IP(EA), eV:	-8.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-4-phenyloxane-4-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C(=O)NC[C@@H](C2=CSC=C2)O

DOS

IR

Vibrations