Geometry & MOs

Info

ID:	128375
PubChem CID:	51042077
Reduced:	NSO2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	395.249415
ΔH_f, kcal/mol:	-46.83
Dipole, Da:	2.73
IP(EA), eV:	-8.64(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hexadecanoyl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)CCC(=O)C2=NC=CS2

DOS

IR

Vibrations