Geometry & MOs

Info

ID:	179740
PubChem CID:	76524057
Reduced:	OSF3N3H14C19 (1)
Stoich.:	ABC3D3E14F19 (1)
Weight, g/mol:	466.119858
ΔH_f, kcal/mol:	-88.03
Dipole, Da:	5.69
IP(EA), eV:	-9.18(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]-3-(4-methylphenyl)sulfonylurea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C=CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations