Geometry & MOs

Info

ID:	206424
PubChem CID:	80249517
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	318.070799
ΔH_f, kcal/mol:	-11.08
Dipole, Da:	8.2
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylthiophen-3-yl)methylsulfamoyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(C)C2=C(NC(=NC2=O)C)C

DOS

IR

Vibrations