Geometry & MOs

Info

ID:	65230
PubChem CID:	29204643
Reduced:	BrN2O4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	374.108956
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	2.23
IP(EA), eV:	-8.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,3S)-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