Geometry & MOs

Info

ID:	138976
PubChem CID:	52453450
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-87.87
Dipole, Da:	5.51
IP(EA), eV:	-9.45(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(CC1)C(=O)C(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations