Geometry & MOs

Info

ID:	238099
PubChem CID:	92729683
Reduced:	SN3O4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	455.187878
ΔH_f, kcal/mol:	-124.46
Dipole, Da:	8.77
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cyclopropyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)N4CCC[C@@H](C4)C(=O)NC5CC5

DOS

IR

Vibrations