Geometry & MOs

Info

ID:	137840
PubChem CID:	52270743
Reduced:	NSCl2O2C14H17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	333.035705
ΔH_f, kcal/mol:	-93.35
Dipole, Da:	3.24
IP(EA), eV:	-9.11(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC[C@@H]1CCCO1)SC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations