Geometry & MOs

Info

ID:	15629
PubChem CID:	446341
Reduced:	ClSN4O4H25C26 (1)
Stoich.:	ABC4D4E25F26 (1)
Weight, g/mol:	524.128504
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	2.93
IP(EA), eV:	-8.49(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(hydroxymethyl)-1-pyridin-4-ylpyridin-4-yl]methyl]piperazin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC4(C=CN(C=C4)C5=CC=NC=C5)CO

DOS

IR

Vibrations