Geometry & MOs

Info

ID:	440765
PubChem CID:	135231345
Reduced:	SO3N5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	442.0463
ΔH_f, kcal/mol:	-42.27
Dipole, Da:	6.94
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC/C(=C/N)/C=N

DOS

IR

Vibrations