Geometry & MOs

Info

ID:	341018
PubChem CID:	127263453
Reduced:	SN2O4H12C15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	380.151826
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	8.31
IP(EA), eV:	-9.59(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C(=O)O)C=N2

DOS

IR

Vibrations