Geometry & MOs

Info

ID:	431924
PubChem CID:	135172051
Reduced:	PN3O6C26H30 (1)
Stoich.:	AB3C6D26E30 (1)
Weight, g/mol:	560.228753
ΔH_f, kcal/mol:	-212.0
Dipole, Da:	6.47
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC2=C(C=C1C#CC3=CN=CN=C3)N(C=C2C(=O)C)CC(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations