Geometry & MOs

Info

ID:	383515
PubChem CID:	134975276
Reduced:	OSN5H9C14 (1)
Stoich.:	ABC5D9E14 (1)
Weight, g/mol:	378.222636
ΔH_f, kcal/mol:	88.03
Dipole, Da:	6.05
IP(EA), eV:	-9.35(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxo-7-phenylheptanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3(C(C(=S)NC(=C3C#N)N)C#N)C(=O)N2

DOS

IR

Vibrations