Geometry & MOs

Info

ID:	137839
PubChem CID:	52270631
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	333.035705
ΔH_f, kcal/mol:	-139.83
Dipole, Da:	2.61
IP(EA), eV:	-8.78(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1OCCNC(=O)NC2=CC=CC=C2N3C[C@H](O[C@H](C3)C)C

DOS

IR

Vibrations