Geometry & MOs

Info

ID:	81509
PubChem CID:	49854807
Reduced:	SN3O4C26H29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	487.108103
ΔH_f, kcal/mol:	-95.93
Dipole, Da:	3.79
IP(EA), eV:	-8.53(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations