Geometry & MOs

Info

ID:	69402
PubChem CID:	47169923
Reduced:	BrSO2N3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	5.22
IP(EA), eV:	-9.03(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[2-(pyridin-2-ylamino)ethyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCCC(=O)NC2=NN=CS2)Br

DOS

IR

Vibrations