Geometry & MOs

Info

ID:	301932
PubChem CID:	123100913
Reduced:	NSO4C18H25 (1)
Stoich.:	ABC4D18E25 (1)
Weight, g/mol:	401.107913
ΔH_f, kcal/mol:	-165.87
Dipole, Da:	7.42
IP(EA), eV:	-8.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-2-[[2-(2-oxo-2-piperidin-1-ylethyl)sulfinylacetyl]amino]-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)CS(=O)CC(=O)N2CCCCC2

DOS

IR

Vibrations