Geometry & MOs

Info

ID:

84264

PubChem CID:

49865155

Reduced:

SN4O6C14H22 (1)

Stoich.:

AB4C6D14E22 (1)

Weight, g/mol:

557.120289

ΔHf, kcal/mol:

-87.67

Dipole, Da:

9.15

IP(EA), eV:

 -9.97(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-9-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-[5-[(4-fluorophenyl)methyl]-3H-1,3-thiazol-2-ylidene]-7-morpholin-4-ylpyrido[1,2-a]pyrimidine-3,4-dione

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations