Geometry & MOs

Info

ID:	124746
PubChem CID:	50894879
Reduced:	SN2Cl3O4H13C15 (1)
Stoich.:	AB2C3D4E13F15 (1)
Weight, g/mol:	441.98342
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	3.35
IP(EA), eV:	-9.17(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(N-(4-bromophenyl)sulfonyl-2-methyl-4-nitroanilino)acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N(CC(=O)N)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations