Geometry & MOs

Info

ID:	170090
PubChem CID:	75195662
Reduced:	S2N3O4H15C17 (1)
Stoich.:	A2B3C4D15E17 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-22.7
Dipole, Da:	4.52
IP(EA), eV:	-9.25(-3.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1S(=O)(=O)C3=CC4=NC(=O)C(=O)N=C4C=C3)SC=C2

DOS

IR

Vibrations