Geometry & MOs

Info

ID:	195195
PubChem CID:	78653328
Reduced:	F2N2O2H20C21 (1)
Stoich.:	A2B2C2D20E21 (1)
Weight, g/mol:	346.080101
ΔH_f, kcal/mol:	-99.46
Dipole, Da:	5.44
IP(EA), eV:	-9.14(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyanilino)-2-oxoethyl] 3-(5-nitrofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations