Geometry & MOs

Info

ID:	258805
PubChem CID:	103157077
Reduced:	NF2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	287.093977
ΔH_f, kcal/mol:	-224.37
Dipole, Da:	5.2
IP(EA), eV:	-8.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=CC3=C(C=C2)OC(O3)(F)F)O

DOS

IR

Vibrations