Geometry & MOs

Info

ID:	125964
PubChem CID:	50946042
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	-144.95
Dipole, Da:	7.27
IP(EA), eV:	-8.67(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxy-2-methylphenyl)-4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3CCCO3

DOS

IR

Vibrations