Geometry & MOs

Info

ID:	431922
PubChem CID:	135172049
Reduced:	PN4O7C25H31 (1)
Stoich.:	AB4C7D25E31 (1)
Weight, g/mol:	514.223274
ΔH_f, kcal/mol:	-310.5
Dipole, Da:	5.9
IP(EA), eV:	-8.68(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-6-(benzylamino)-5-diethoxyphosphorylindol-1-yl]acetate

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(C=C2C(=C1)C(=CN2CC(=O)OC(C)(C)C)C(=O)C)NC(=O)C3=CN=CN=C3)OCC

DOS

IR

Vibrations