Geometry & MOs

Info

ID:	341019
PubChem CID:	127263454
Reduced:	SN4O4C17H24 (1)
Stoich.:	AB4C4D17E24 (1)
Weight, g/mol:	280.060567
ΔH_f, kcal/mol:	-127.29
Dipole, Da:	5.49
IP(EA), eV:	-9.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(=N1)SC(=N2)C3CCCN(C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations