Geometry & MOs

Info

ID:	419121
PubChem CID:	135107540
Reduced:	SO3N4C14H20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	337.128255
ΔH_f, kcal/mol:	-100.31
Dipole, Da:	7.54
IP(EA), eV:	-9.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC(=CS3)C(=O)N)C(=O)O

DOS

IR

Vibrations