Geometry & MOs

Info

ID:	65228
PubChem CID:	29204640
Reduced:	ClO2F3N3H17C20 (1)
Stoich.:	AB2C3D3E17F20 (1)
Weight, g/mol:	374.108956
ΔH_f, kcal/mol:	-185.11
Dipole, Da:	8.18
IP(EA), eV:	-9.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,3R)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations