Geometry & MOs

Info

ID:	142705
PubChem CID:	53079121
Reduced:	ClSN4O4C20H25 (1)
Stoich.:	ABC4D4E20F25 (1)
Weight, g/mol:	472.178041
ΔH_f, kcal/mol:	-140.0
Dipole, Da:	8.73
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-1-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC(=CC=C1)Cl)S(=O)(=O)C2=CNC(=C2)C(=O)N3CCCCCC3

DOS

IR

Vibrations