Geometry & MOs

Info

ID:	49888
PubChem CID:	11534134
Reduced:	SN3O3F4C27H33 (1)
Stoich.:	AB3C3D4E27F33 (1)
Weight, g/mol:	556.03182
ΔH_f, kcal/mol:	-316.76
Dipole, Da:	6.39
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydroxypropoxymethyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC3=C(C=C2)[C@@H](CCC3)NC(=O)C[C@@H](CF)NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations