Geometry & MOs

Info

ID:

297284

PubChem CID:

117614432

Reduced:

FPN5O9C37H55 (1)

Stoich.:

ABC5D9E37F55 (1)

Weight, g/mol:

725.31427

ΔHf, kcal/mol:

-454.2

Dipole, Da:

10.02

IP(EA), eV:

 -9.48(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-N-[2-[[[(2R)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]ethyl]octadec-9-enamide

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCNP(=O)(NCC(=O)OC)OC[C@@H]1[C@H]([C@@](C(O1)N2C=CC(=O)NC2=O)(C)F)O

DOS

IR

Vibrations