Geometry & MOs

Info

ID:	431596
PubChem CID:	135171684
Reduced:	N2O2H30C49 (1)
Stoich.:	A2B2C30D49 (1)
Weight, g/mol:	467.170904
ΔH_f, kcal/mol:	154.58
Dipole, Da:	2.15
IP(EA), eV:	-8.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-acetyl-6-acetyloxy-5-diethoxyphosphorylindol-1-yl)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)CC5=CC6=C(C=C5)C7=CC=CC=C7N6C8=CC9=C(C=C8)OC1=C9C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations