Geometry & MOs

Info

ID:	241021
PubChem CID:	93621212
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	304.135782
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	4.64
IP(EA), eV:	-9.21(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)C2=CSC(=N2)C3=CN(N=C3)C

DOS

IR

Vibrations