Geometry & MOs

Info

ID:	142677
PubChem CID:	53074452
Reduced:	BrSO3N4H17C22 (1)
Stoich.:	ABC3D4E17F22 (1)
Weight, g/mol:	495.105326
ΔH_f, kcal/mol:	5.35
Dipole, Da:	3.25
IP(EA), eV:	-8.81(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N4C2=NN(C4=O)CC5=CC(=CC=C5)Br

DOS

IR

Vibrations