Geometry & MOs

Info

ID:	81854
PubChem CID:	49855258
Reduced:	ClN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	366.117984
ΔH_f, kcal/mol:	-53.18
Dipole, Da:	3.04
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=CC(=C(C=C2)O)O)NC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations