Geometry & MOs

Info

ID:	361741
PubChem CID:	127304557
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	357.071802
ΔH_f, kcal/mol:	28.54
Dipole, Da:	2.73
IP(EA), eV:	-9.48(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]-(thiadiazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NO2)C(=O)N3CCC(CC3)C4=NC(=CS4)C5=CC=NC=C5

DOS

IR

Vibrations