Geometry & MOs

Info

ID:	440753
PubChem CID:	135231290
Reduced:	SO3N5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	398.09681
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	8.61
IP(EA), eV:	-9.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-chlorophenyl)methylsulfanylamino]phenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CN(C1CCCC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CNN=C3

DOS

IR

Vibrations