Geometry & MOs

Info

ID:	137849
PubChem CID:	52272510
Reduced:	OSN2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	293.054421
ΔH_f, kcal/mol:	24.76
Dipole, Da:	5.52
IP(EA), eV:	-9.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-hydroxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CN([C@H]1CCC2=CC=CC=C12)C(=O)CSCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations