Geometry & MOs

Info

ID:	431603
PubChem CID:	135171691
Reduced:	NPO7C27H34 (1)
Stoich.:	ABC7D27E34 (1)
Weight, g/mol:	577.220571
ΔH_f, kcal/mol:	-326.62
Dipole, Da:	8.84
IP(EA), eV:	-8.6(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[5-diethoxyphosphoryl-6-(diethoxyphosphorylmethoxy)-3-(1-hydroxyethyl)indol-1-yl]acetate

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(C=C2C(=C1)C(=CN2CC(=O)OC(C)(C)C)C(=O)C)OCC3=CC=CC=C3)OCC

DOS

IR

Vibrations