Geometry & MOs

Info

ID:	244671
PubChem CID:	99376334
Reduced:	SN3O4C22H33 (1)
Stoich.:	AB3C4D22E33 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-177.1
Dipole, Da:	4.39
IP(EA), eV:	-9.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations