Geometry & MOs

Info

ID:	138035
PubChem CID:	52301572
Reduced:	S2O3N4C16H24 (1)
Stoich.:	A2B3C4D16E24 (1)
Weight, g/mol:	385.091869
ΔH_f, kcal/mol:	-101.18
Dipole, Da:	4.55
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)CN3CCCC[C@@H]3CCNS(=O)(=O)C

DOS

IR

Vibrations