Geometry & MOs

Info

ID:	59636
PubChem CID:	24891094
Reduced:	ClN2O4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	318.078662
ΔH_f, kcal/mol:	-129.35
Dipole, Da:	6.83
IP(EA), eV:	-9.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2-cyanoethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)NCCC(=O)O)O

DOS

IR

Vibrations