Geometry & MOs

Info

ID:	352163
PubChem CID:	127283231
Reduced:	ClO2S2N4C15H15 (1)
Stoich.:	AB2C2D4E15F15 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	8.77
Dipole, Da:	8.24
IP(EA), eV:	-9.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)C#N

DOS

IR

Vibrations