Geometry & MOs

Info

ID:

16391

PubChem CID:

466495

Reduced:

S2O6N7C27H29 (1)

Stoich.:

A2B6C7D27E29 (1)

Weight, g/mol:

611.162074

ΔHf, kcal/mol:

-141.52

Dipole, Da:

1.86

IP(EA), eV:

 -9.08(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;12-methyl-2,3-dithia-11,14-diazatricyclo[14.4.0.04,9]icosa-1(20),4,6,8,16,18-hexaene-10,15-dione

Drug info:

PubChemData

Smile

CC1CNC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)N1.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

DOS

IR

Vibrations