Geometry & MOs

Info

ID:	431604
PubChem CID:	135171692
Reduced:	NP2O10C25H41 (1)
Stoich.:	AB2C10D25E41 (1)
Weight, g/mol:	425.160339
ΔH_f, kcal/mol:	-560.61
Dipole, Da:	2.36
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-acetyl-5-diethoxyphosphoryl-6-hydroxyindol-1-yl)acetate

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=C(C=C2C(=C1)N(C=C2C(C)O)CC(=O)OC(C)(C)C)P(=O)(OCC)OCC)OCC

DOS

IR

Vibrations