Geometry & MOs

Info

ID:

16015

PubChem CID:

457861

Reduced:

ClO6N10C29H43 (1)

Stoich.:

AB6C10D29E43 (1)

Weight, g/mol:

662.305557

ΔHf, kcal/mol:

-149.57

Dipole, Da:

6.9

IP(EA), eV:

 -8.62(-0.82)

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;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydroxyurea

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C(=O)(N)NO

DOS

IR

Vibrations