Geometry & MOs

Info

ID:	311490
PubChem CID:	126592959
Reduced:	SN3O4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	481.91383
ΔH_f, kcal/mol:	-165.0
Dipole, Da:	7.26
IP(EA), eV:	-8.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2Z)-2-(3-bromo-4-fluoroanilino)-2-iodoiminoacetyl]cyclobutyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NS(=O)(=O)NC1=CC=C(C=C1)N

DOS

IR

Vibrations