Geometry & MOs

Info

ID:	378202
PubChem CID:	134224278
Reduced:	PN3O10C24H32 (1)
Stoich.:	AB3C10D24E32 (1)
Weight, g/mol:	527.146895
ΔH_f, kcal/mol:	-471.79
Dipole, Da:	6.64
IP(EA), eV:	-10.01(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2S)-2-[[[(2S,3S,4R,5S)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](C(=O)O[C@@H](C)C(=O)C(C)C)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)OC3=CC=CC=C3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](C(=O)O[C@@H](C)C(=O)C(C)C)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)OC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):