Geometry & MOs

Info

ID:	440733
PubChem CID:	135231168
Reduced:	SO2N4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	458.04121
ΔH_f, kcal/mol:	30.42
Dipole, Da:	3.82
IP(EA), eV:	-8.41(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-bromophenyl)methylsulfinylamino]phenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC=CC=C2SC3=CC=C(C=C3)NC(=O)NCC4=CNN=C4

DOS

IR

Vibrations