Geometry & MOs

Info

ID:	142678
PubChem CID:	53074716
Reduced:	ClS2N3O4C22H26 (1)
Stoich.:	AB2C3D4E22F26 (1)
Weight, g/mol:	495.105326
ΔH_f, kcal/mol:	-131.5
Dipole, Da:	6.15
IP(EA), eV:	-8.87(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)N4CCCC4

DOS

IR

Vibrations