Geometry & MOs

Info

ID:	376701
PubChem CID:	134222724
Reduced:	FPN7O7C26H37 (1)
Stoich.:	ABC7D7E26F37 (1)
Weight, g/mol:	405.206896
ΔH_f, kcal/mol:	-345.73
Dipole, Da:	5.14
IP(EA), eV:	-8.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@@](=O)(OCC1[C@H]([C@@]([C@@H](O1)N2C=NC3=C2N=C(N=C3N(C)C)NC)(C)F)O)OC4=CC=CC=C4

DOS

IR

Vibrations