Geometry & MOs

Info

ID:	440758
PubChem CID:	135231310
Reduced:	OSN6C16H16 (1)
Stoich.:	ABC6D16E16 (1)
Weight, g/mol:	468.125612
ΔH_f, kcal/mol:	65.63
Dipole, Da:	7.83
IP(EA), eV:	-8.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NSC2=CC=C(C=C2)NC(=O)NCC3=CNN=C3

DOS

IR

Vibrations