Geometry & MOs

Info

ID:	124660
PubChem CID:	50891213
Reduced:	ISN2O6H15C16 (1)
Stoich.:	ABC2D6E15F16 (1)
Weight, g/mol:	484.87523
ΔH_f, kcal/mol:	-105.83
Dipole, Da:	7.66
IP(EA), eV:	-9.24(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(2,5-dichlorophenyl)sulfonyl-3-iodoanilino)acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=CC(=CC=C1)I)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations