Geometry & MOs

Info

ID:	46721
PubChem CID:	10526647
Reduced:	SN2O3C24H34 (1)
Stoich.:	AB2C3D24E34 (1)
Weight, g/mol:	429.95812
ΔH_f, kcal/mol:	-104.92
Dipole, Da:	6.88
IP(EA), eV:	-8.37(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-6-[(2-iodophenyl)carbamoylamino]benzoate

Drug info:

PubChemData

Smile

CCCN(CCC)C1CCN(C2=C(C1)C=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations