Geometry & MOs

Info

ID:

175822

PubChem CID:

75952539

Reduced:

ClO2N7H20C22 (1)

Stoich.:

AB2C7D20E22 (1)

Weight, g/mol:

592.06726

ΔHf, kcal/mol:

76.85

Dipole, Da:

3.17

IP(EA), eV:

 -8.76(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-[3-methyl-4-(3-oxo-1,2-benzoselenazol-2-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N2CC3C2CN(CC3)C4=NC5=C(O4)C=C(C=C5)Cl)N6C=CN=N6

DOS

IR

Vibrations