Geometry & MOs

Info

ID:	218541
PubChem CID:	85089595
Reduced:	N2O5C28H34 (1)
Stoich.:	A2B5C28D34 (1)
Weight, g/mol:	478.284811
ΔH_f, kcal/mol:	-130.69
Dipole, Da:	5.41
IP(EA), eV:	-9.62(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-ditert-butyl-4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-diethoxyphosphorylpent-1-en-3-one

Drug info:

PubChemData

Smile

COC(=O)CCC1=CC=CC=C1CC2C3CCC(C2C4=NC(=CO4)C(=O)NCCCCCC#C)O3

DOS

IR

Vibrations