Geometry & MOs

Info

ID:	407183
PubChem CID:	135079508
Reduced:	FNSO4H14C18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	374.01274
ΔH_f, kcal/mol:	-114.99
Dipole, Da:	3.91
IP(EA), eV:	-9.51(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-3-hydroxy-3-(2-iodophenyl)-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-olate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(C1=O)C(C#N)C(=O)OC)SC2=CC=C(C=C2)F)C

DOS

IR

Vibrations