Geometry & MOs

Info

ID:	425229
PubChem CID:	135125579
Reduced:	N2O2S2C9H20 (1)
Stoich.:	A2B2C2D9E20 (1)
Weight, g/mol:	530.154781
ΔH_f, kcal/mol:	-103.88
Dipole, Da:	3.89
IP(EA), eV:	-9.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-8-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,2-oxazol-3-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-5,8-dimethyl-4,4-dioxo-4lambda6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine

Drug info:

PubChemData

Smile

CN(C)CCSSCCCCNC(=O)O

DOS

IR

Vibrations