Geometry & MOs

Info

ID:	65232
PubChem CID:	29204645
Reduced:	BrN2O4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	374.108956
ΔH_f, kcal/mol:	-59.44
Dipole, Da:	4.79
IP(EA), eV:	-8.22(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@H](CNC(=O)C2=CC=C(O2)Br)C3=CNC4=CC=CC=C43)OC

DOS

IR

Vibrations