Geometry & MOs

Info

ID:	431921
PubChem CID:	135172048
Reduced:	PN3O6C25H32 (1)
Stoich.:	AB3C6D25E32 (1)
Weight, g/mol:	530.193036
ΔH_f, kcal/mol:	-278.48
Dipole, Da:	7.09
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations