Geometry & MOs

Info

ID:	124602
PubChem CID:	50889221
Reduced:	ClN2O3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	434.03149
ΔH_f, kcal/mol:	-68.26
Dipole, Da:	9.52
IP(EA), eV:	-9.53(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=C(C=NN2)C(=O)O

DOS

IR

Vibrations