Geometry & MOs

Info

ID:	425268
PubChem CID:	135125734
Reduced:	ClINH3F4C8 (1)
Stoich.:	ABCD3E4F8 (1)
Weight, g/mol:	368.084221
ΔH_f, kcal/mol:	-146.85
Dipole, Da:	1.2
IP(EA), eV:	-9.96(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(2-fluoro-5-formylphenyl)-7-methyl-5,5-dioxo-5lambda6-thia-8-azaspiro[3.5]non-8-en-9-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)C(=CI)F)C(F)(F)F

DOS

IR

Vibrations