Geometry & MOs

Info

ID:	437899
PubChem CID:	135227293
Reduced:	N2F4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	351.96301
ΔH_f, kcal/mol:	-165.41
Dipole, Da:	6.33
IP(EA), eV:	-8.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-iodocyclopropyl)-4,6-dimethylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC(C)/C(=C/C1=NC=CC(=C1)C2=CC(=C(C=C2)F)C(F)(F)F)/N

DOS

IR

Vibrations