Geometry & MOs

Info

ID:	30544
PubChem CID:	841475
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	312.093249
ΔH_f, kcal/mol:	-17.8
Dipole, Da:	4.21
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations