Geometry & MOs

Info

ID:	433909
PubChem CID:	135174056
Reduced:	FPN3O8C27H33 (1)
Stoich.:	ABC3D8E27F33 (1)
Weight, g/mol:	563.18328
ΔH_f, kcal/mol:	-406.22
Dipole, Da:	5.83
IP(EA), eV:	-9.29(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[[2-[(2-methylphenyl)methoxy]ethylamino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione

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

CC1=CC(=CC=C1)COCC(C)NP(=O)(OC[C@@H]2[C@H]([C@@]([C@@H](O2)N3C=CC(=O)NC3=O)(C)F)O)OC4=CC=CC=C4

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

CC1=CC(=CC=C1)COCC(C)NP(=O)(OC[C@@H]2[C@H]([C@@]([C@@H](O2)N3C=CC(=O)NC3=O)(C)F)O)OC4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):