Geometry & MOs

Info

ID:	168343
PubChem CID:	74954411
Reduced:	FN3H24C26 (1)
Stoich.:	AB3C24D26 (1)
Weight, g/mol:	395.093977
ΔH_f, kcal/mol:	43.26
Dipole, Da:	4.63
IP(EA), eV:	-8.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1NC3=NC4=C(C=C3)C=C(C=C4)CNCC5=CC=C(C=C5)F

DOS

IR

Vibrations