Geometry & MOs

Info

ID:	300197
PubChem CID:	121264484
Reduced:	O2N3F7H14C22 (1)
Stoich.:	A2B3C7D14E22 (1)
Weight, g/mol:	486.153934
ΔH_f, kcal/mol:	-375.83
Dipole, Da:	11.17
IP(EA), eV:	-9.04(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-[4-[[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]carbamoylamino]phenyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)NC2=CC(=C(C=C2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations