Geometry & MOs

Info

ID:	448727
PubChem CID:	135293042
Reduced:	OSN2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	576.193058
ΔH_f, kcal/mol:	50.56
Dipole, Da:	6.06
IP(EA), eV:	-8.97(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-hydroxy-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-(3-pyrrolidin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

C1CC(C1)(C=O)N(C=S)C2=CC3=C(C=C2)C=CN=C3

DOS

IR

Vibrations