Geometry & MOs

Info

ID:	30713
PubChem CID:	841757
Reduced:	BrO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-9.66
Dipole, Da:	6.37
IP(EA), eV:	-9.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C=C(C=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations