Geometry & MOs

Info

ID:	27003
PubChem CID:	810648
Reduced:	FN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	338.166414
ΔH_f, kcal/mol:	-121.17
Dipole, Da:	3.68
IP(EA), eV:	-9.89(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[butanoyl(cyclohexyl)amino]methyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)C1=COC(=N1)CN(CC)C(=O)C2=CC=CC=C2F

DOS

IR

Vibrations