Geometry & MOs

Info

ID:	395548
PubChem CID:	135025773
Reduced:	O3H10C12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	363.144689
ΔH_f, kcal/mol:	-145.9
Dipole, Da:	5.01
IP(EA), eV:	-8.39(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-3-diethoxyphosphoryl-2-oxohex-5-yn-3-yl]oxycarbamate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(CO2)C3=CC4=C(C=C3OCC5=CC=CC=C5)OCO4

DOS

IR

Vibrations