Geometry & MOs

Info

ID:	39769
PubChem CID:	8142217
Reduced:	FSN2O3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-96.41
Dipole, Da:	4.47
IP(EA), eV:	-9.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations