Geometry & MOs

Info

ID:	238654
PubChem CID:	92764882
Reduced:	ClSO2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	405.106704
ΔH_f, kcal/mol:	-41.75
Dipole, Da:	2.3
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)C[C@@H](C2=O)N3CCN(CC3)CC4=CC=C(S4)Cl)C

DOS

IR

Vibrations