Geometry & MOs

Info

ID:	449836
PubChem CID:	135302028
Reduced:	PO4N6C16H24 (1)
Stoich.:	AB4C6D16E24 (1)
Weight, g/mol:	392.135029
ΔH_f, kcal/mol:	-110.92
Dipole, Da:	4.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760939
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1S)-1-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]-2-oxo-2-propan-2-yloxyethyl]carbamoyloxy]ethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

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C[C@@H](C(=O)OC(C)C)N[P+](=O)CO[C@@H](CN1C=NC2=C(N=CN=C21)N)C=C

DOS

IR

Vibrations