Geometry & MOs

Info

ID:

313821

PubChem CID:

126618112

Reduced:

SO16N18C61H98 (1)

Stoich.:

AB16C18D61E98 (1)

Weight, g/mol:

609.02786

ΔHf, kcal/mol:

-698.45

Dipole, Da:

7.51

IP(EA), eV:

 -8.92(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[[[(2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propyl] propanoate

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN2C=C(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)O)CC3=CC=C(C=C3)O)N)N=N2)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCC4[C@H]5[C@@H](CS4)NC(=O)N5)CCCN=C(N)N)CCC(=O)N

DOS

IR

Vibrations