Geometry & MOs

Info

ID:	56163
PubChem CID:	17422330
Reduced:	SO2N3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	342.137971
ΔH_f, kcal/mol:	30.92
Dipole, Da:	4.52
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-N-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]anilino)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=O)NC2=NC(=CS2)C3=CC=CC=N3

DOS

IR

Vibrations