Geometry & MOs

Info

ID:	138975
PubChem CID:	52453449
Reduced:	FN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-160.67
Dipole, Da:	5.94
IP(EA), eV:	-9.0(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCN(CC1)C(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3F

DOS

IR

Vibrations