Geometry & MOs

Info

ID:	49317
PubChem CID:	11532808
Reduced:	SO3N5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	465.233535
ΔH_f, kcal/mol:	-20.8
Dipole, Da:	1.87
IP(EA), eV:	-8.3(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[tert-butyl(diphenyl)silyl]oxy-6-cyano-3-oxohexanoate

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=N1)N3CCNCC3)SC4=C2C(=CC(=N4)C5=CC(=C(C=C5)OC)OC)C

DOS

IR

Vibrations