Geometry & MOs

Info

ID:	264753
PubChem CID:	103488592
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	252.056863
ΔH_f, kcal/mol:	-130.86
Dipole, Da:	5.06
IP(EA), eV:	-8.5(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(furan-3-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CSC(=N1)NC(C)(C)COC

DOS

IR

Vibrations