Geometry & MOs

Info

ID:	378338
PubChem CID:	134224416
Reduced:	PN3O9C21H26 (1)
Stoich.:	AB3C9D21E26 (1)
Weight, g/mol:	635.185566
ΔH_f, kcal/mol:	-403.01
Dipole, Da:	6.07
IP(EA), eV:	-9.73(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-2-methyl-3-[(2S)-4-methyl-3-oxopentan-2-yl]oxypropanal

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)OCC=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)OCC=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):