Geometry & MOs

Info

ID:	419456
PubChem CID:	135108202
Reduced:	SN4O6C14H22 (1)
Stoich.:	AB4C6D14E22 (1)
Weight, g/mol:	319.054815
ΔH_f, kcal/mol:	-252.35
Dipole, Da:	6.03
IP(EA), eV:	-9.66(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)CC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations