Geometry & MOs

Info

ID:	81852
PubChem CID:	49855256
Reduced:	OC3H4 (9)
Stoich.:	AB3C4 (9)
Weight, g/mol:	382.112899
ΔH_f, kcal/mol:	-403.91
Dipole, Da:	3.11
IP(EA), eV:	-8.79(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]([C@@H]([C@@]2([C@]13C[C@@H]([C@@H]([C@@H]2OC4=CC=CC=C4)OC(=O)C)C(O3)(C)C)COC(=O)C)O)OC(=O)C

DOS

IR

Vibrations