Geometry & MOs

Info

ID:	127205
PubChem CID:	50994356
Reduced:	BrSN2O3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	347.02694
ΔH_f, kcal/mol:	-53.59
Dipole, Da:	5.09
IP(EA), eV:	-9.47(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-5-(pyridine-3-carbonyl)phenyl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC(=CC(=C1)C(=O)C2=CN=CC=C2)Br

DOS

IR

Vibrations