Geometry & MOs

Info

ID:	238106
PubChem CID:	92729690
Reduced:	SN3O4C25H31 (1)
Stoich.:	AB3C4D25E31 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	-125.85
Dipole, Da:	9.35
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC[C@H](C3)C(=O)NC4CC4

DOS

IR

Vibrations