Geometry & MOs

Info

ID:	144559
PubChem CID:	53386075
Reduced:	NP2O7C19H33 (1)
Stoich.:	AB2C7D19E33 (1)
Weight, g/mol:	463.188876
ΔH_f, kcal/mol:	-427.85
Dipole, Da:	3.08
IP(EA), eV:	-9.44(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-amino-5,5-bis(diethoxyphosphoryl)-4-(4-methylphenyl)pentan-2-one

Drug info:

PubChemData

Smile

CCOP(=O)(C([C@H](C1=CC=CC=C1)[C@@H](C(=O)C)N)P(=O)(OCC)OCC)OCC

DOS

IR

Vibrations