Geometry & MOs

Info

ID:

47427

PubChem CID:

10532600

Reduced:

FSi3N5O5C31H58 (1)

Stoich.:

AB3C5D5E31F58 (1)

Weight, g/mol:

684.201667

ΔHf, kcal/mol:

-413.56

Dipole, Da:

5.13

IP(EA), eV:

 -8.56(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=C(C2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)F)N

DOS

IR

Vibrations