Geometry & MOs

Info

ID:	30577
PubChem CID:	841530
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-108.73
Dipole, Da:	3.5
IP(EA), eV:	-9.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCOCC1)OC2=CC=CC=C2Cl

DOS

IR

Vibrations