Geometry & MOs

Info

ID:	361351
PubChem CID:	127302660
Reduced:	SO2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	-39.43
Dipole, Da:	4.89
IP(EA), eV:	-8.89(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations