Geometry & MOs

Info

ID:	420561
PubChem CID:	135113927
Reduced:	S2N3O4C12H19 (1)
Stoich.:	A2B3C4D12E19 (1)
Weight, g/mol:	293.083413
ΔH_f, kcal/mol:	-140.63
Dipole, Da:	5.88
IP(EA), eV:	-9.43(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)N2C[C@H]([C@H](C2)O)CS(=O)(=O)N(C)C

DOS

IR

Vibrations