Geometry & MOs

Info

ID:	63436
PubChem CID:	26758344
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	453.147075
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	5.39
IP(EA), eV:	-8.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations