Geometry & MOs

Info

ID:	431685
PubChem CID:	135171781
Reduced:	PN4O8C26H33 (1)
Stoich.:	AB4C8D26E33 (1)
Weight, g/mol:	575.20492
ΔH_f, kcal/mol:	-343.34
Dipole, Da:	5.46
IP(EA), eV:	-8.65(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=C(C=C2C(=C1)N(C=C2C(=O)C)CC(=O)OC(C)(C)C)NC(=O)C3=CN=CN=C3)OCC

DOS

IR

Vibrations