Geometry & MOs

Info

ID:

16593

PubChem CID:

473412

Reduced:

ClSO6N7C27H32 (1)

Stoich.:

ABC6D7E27F32 (1)

Weight, g/mol:

617.182331

ΔHf, kcal/mol:

-109.69

Dipole, Da:

4.3

IP(EA), eV:

 -8.88(-0.94)

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;N-[4-chloro-3-[(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-2-methylfuran-3-carboximidothioic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].CC1=C(C=CO1)C(=NC2=CC(=C(C=C2)Cl)C=NOC(C)(C)C)S

DOS

IR

Vibrations