Geometry & MOs

Info

ID:	183508
PubChem CID:	77032598
Reduced:	FON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-3.34
Dipole, Da:	1.95
IP(EA), eV:	-8.98(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-6-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1F)NCC2=CC(=CC=C2)C(=NO)N

DOS

IR

Vibrations