Geometry & MOs

Info

ID:	69289
PubChem CID:	46530587
Reduced:	SF3N4O4C20H23 (1)
Stoich.:	AB3C4D4E20F23 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-256.2
Dipole, Da:	3.35
IP(EA), eV:	-8.86(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CN=C(C=C3)OCC(F)(F)F

DOS

IR

Vibrations