Geometry & MOs

Info

ID:	144460
PubChem CID:	53372179
Reduced:	ClFON3H19C20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	568.130458
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	1.62
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(2-pyridin-3-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CC2=NN(C(=O)C21)CC3=CC=CC=C3)CC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations