Geometry & MOs

Info

ID:	364864
PubChem CID:	127316313
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	387.118753
ΔH_f, kcal/mol:	-98.03
Dipole, Da:	3.51
IP(EA), eV:	-9.04(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)CN3C(=O)C(NC3=O)(C)C4CC4

DOS

IR

Vibrations