Geometry & MOs

Info

ID:	35404
PubChem CID:	7979813
Reduced:	SN2O6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	348.087685
ΔH_f, kcal/mol:	-177.47
Dipole, Da:	5.74
IP(EA), eV:	-9.16(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[(2R)-2-phenylpropyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NNC(=O)CCS(=O)(=O)C2=CC=CC=C2)OC

DOS

IR

Vibrations