Geometry & MOs

Info

ID:	282909
PubChem CID:	103945376
Reduced:	ClNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	-36.63
Dipole, Da:	1.67
IP(EA), eV:	-9.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylthiolane-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](CO)NC(=O)/C=C/C2=CC=CC=C2Cl

DOS

IR

Vibrations