Geometry & MOs

Info

ID:	155743
PubChem CID:	56367292
Reduced:	SN3O3C25H37 (1)
Stoich.:	AB3C3D25E37 (1)
Weight, g/mol:	431.162725
ΔH_f, kcal/mol:	-154.84
Dipole, Da:	7.99
IP(EA), eV:	-8.95(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-pyridin-3-ylacetamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

DOS

IR

Vibrations