Geometry & MOs

Info

ID:	185028
PubChem CID:	77242091
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	629.229216
ΔH_f, kcal/mol:	-2.2
Dipole, Da:	5.18
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[4-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-6-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

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CC(C)(COC1=CC=C(C=C1)C2C(C(NC(=S)C2C#N)N)C#N)O

DOS

IR

Vibrations