Geometry & MOs

Info

ID:	264821
PubChem CID:	103493432
Reduced:	INO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	425.97464
ΔH_f, kcal/mol:	-99.1
Dipole, Da:	3.33
IP(EA), eV:	-9.74(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-iodopropanoate

Drug info:

PubChemData

Smile

COC(=O)C(CNC(=O)CC1=CC=CC=C1)I

DOS

IR

Vibrations