Geometry & MOs

Info

ID:	63411
PubChem CID:	26758269
Reduced:	SN3O5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	497.128838
ΔH_f, kcal/mol:	-141.71
Dipole, Da:	2.35
IP(EA), eV:	-8.6(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)OC(=O)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations