Geometry & MOs

Info

ID:	64504
PubChem CID:	29201933
Reduced:	ClSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	358.114042
ΔH_f, kcal/mol:	-182.17
Dipole, Da:	5.61
IP(EA), eV:	-8.8(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,3R)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N[C@H](CCS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations