Geometry & MOs

Info

ID:	144560
PubChem CID:	53386076
Reduced:	NP2O7C20H35 (1)
Stoich.:	AB2C7D20E35 (1)
Weight, g/mol:	463.188876
ΔH_f, kcal/mol:	-431.72
Dipole, Da:	2.38
IP(EA), eV:	-8.96(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations