Geometry & MOs

Info

ID:	165723
PubChem CID:	74587006
Reduced:	F3O3N4C20H24 (1)
Stoich.:	A3B3C4D20E24 (1)
Weight, g/mol:	351.057016
ΔH_f, kcal/mol:	-198.63
Dipole, Da:	1.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793550
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC)NC(=O)N1CCC2=C(C1C3=C(C(=C(C=C3)F)F)F)[NH2+]C=N2

DOS

IR

Vibrations