Geometry & MOs

Info

ID:	243550
PubChem CID:	99226746
Reduced:	FN2S2O4H21C22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	466.146404
ΔH_f, kcal/mol:	-132.44
Dipole, Da:	6.85
IP(EA), eV:	-8.8(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-methoxy-2-nitrobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN([C@@H]2CCS(=O)(=O)C2)C(=O)C3=CN=C(S3)C4=CC=CC=C4F

DOS

IR

Vibrations