Geometry & MOs

Info

ID:	391049
PubChem CID:	135002485
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	489.191639
ΔH_f, kcal/mol:	-39.46
Dipole, Da:	9.0
IP(EA), eV:	-8.61(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(tert-butylamino)-1,3-dioxo-3-phenylpropan-2-yl] 2-diethoxyphosphoryl-2-phenylacetate

Drug info:

PubChemData

Smile

CCOC1=C(N=C(O1)[C@@H](C(C)(C)C)NC2=CC=CC(=C2)C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations