Geometry & MOs

Info

ID:	63342
PubChem CID:	26750703
Reduced:	SN2O5C25H26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	423.136511
ΔH_f, kcal/mol:	-152.35
Dipole, Da:	8.36
IP(EA), eV:	-9.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations