Geometry & MOs

Info

ID:	378297
PubChem CID:	134224373
Reduced:	FN4O4C33H37 (1)
Stoich.:	AB4C4D33E37 (1)
Weight, g/mol:	532.1193
ΔH_f, kcal/mol:	-94.11
Dipole, Da:	7.1
IP(EA), eV:	-8.58(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl (2S)-2-[[[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-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

CC[C@@H](C)C/C=C/1\C(=C/CC2=CC(=CC=C2)C(=O)NC(C)(C)C3=NOC=N3)\C(=C(O1)C4=CC=C(C=C4)CF)C(=O)NC

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

CC[C@@H](C)C/C=C/1\C(=C/CC2=CC(=CC=C2)C(=O)NC(C)(C)C3=NOC=N3)\C(=C(O1)C4=CC=C(C=C4)CF)C(=O)NC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):