Geometry & MOs

Info

ID:	351623
PubChem CID:	127280515
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	-33.2
Dipole, Da:	6.12
IP(EA), eV:	-9.26(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations