Geometry & MOs

Info

ID:	440717
PubChem CID:	135231089
Reduced:	SF3O3N4H15C18 (1)
Stoich.:	AB3C3D4E15F18 (1)
Weight, g/mol:	760.213775
ΔH_f, kcal/mol:	-189.17
Dipole, Da:	9.89
IP(EA), eV:	-9.53(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(pyridin-4-ylmethyl)-3-[4-[2-[2-[3-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylphenyl]ethyl]phenyl]sulfonylphenyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CNN=C3

DOS

IR

Vibrations