Geometry & MOs

Info

ID:	190068
PubChem CID:	77950084
Reduced:	S3N5O5C20H31 (1)
Stoich.:	A3B5C5D20E31 (1)
Weight, g/mol:	212.073182
ΔH_f, kcal/mol:	-142.85
Dipole, Da:	10.79
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C(CS1)NC2=NS(=O)N=C2NC(C3=CC=C(O3)C)C(C)(C)C)O

DOS

IR

Vibrations