Geometry & MOs

Info

ID:	344300
PubChem CID:	127267476
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-114.26
Dipole, Da:	4.17
IP(EA), eV:	-8.54(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanoanilino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CN1CC(CC2=CC=CC=C21)NC(=O)C3CCS(=O)(=O)C3

DOS

IR

Vibrations