Geometry & MOs

Info

ID:	243971
PubChem CID:	99303056
Reduced:	SN3O6C22H31 (1)
Stoich.:	AB3C6D22E31 (1)
Weight, g/mol:	485.144299
ΔH_f, kcal/mol:	-237.66
Dipole, Da:	7.25
IP(EA), eV:	-9.16(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-propyl-1-[3-(thiophen-2-ylsulfonylamino)naphthalene-2-carbonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations