Geometry & MOs

Info

ID:	29740
PubChem CID:	836836
Reduced:	BrClON2H8C14 (1)
Stoich.:	ABCD2E8F14 (1)
Weight, g/mol:	305.072179
ΔH_f, kcal/mol:	34.59
Dipole, Da:	1.99
IP(EA), eV:	-9.41(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(=O)NC2=C(C=C(C=C2)Cl)C#N

DOS

IR

Vibrations