Geometry & MOs

Info

ID:	56166
PubChem CID:	17422334
Reduced:	OS2N6C14H18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	372.148535
ΔH_f, kcal/mol:	23.54
Dipole, Da:	8.47
IP(EA), eV:	-8.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-fluoroanilino)propanamide

Drug info:

PubChemData

Smile

CCCN1C(=O)NN=C1SCC2=NC(=C3C(=C(SC3=N2)C)C)N

DOS

IR

Vibrations