Geometry & MOs

Info

ID:	299532
PubChem CID:	117687288
Reduced:	F2N9C14H19 (1)
Stoich.:	A2B9C14D19 (1)
Weight, g/mol:	594.164048
ΔH_f, kcal/mol:	28.83
Dipole, Da:	5.96
IP(EA), eV:	-9.39(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-[2-[4-[methylsulfonyl(sulfino)amino]phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(C(=N1)N(CF)CF)N=CN2CC3=NN=NN3C

DOS

IR

Vibrations