Geometry & MOs

Info

ID:	361337
PubChem CID:	127302532
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	5.29
IP(EA), eV:	-9.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-benzylsulfonylpiperazin-1-yl)-2-cyclopropyl-6-methylpyrimidine

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)NCC4CC4

DOS

IR

Vibrations