Geometry & MOs

Info

ID:

214656

PubChem CID:

85083358

Reduced:

S2N7O7H19C23 (1)

Stoich.:

A2B7C7D19E23 (1)

Weight, g/mol:

575.295948

ΔHf, kcal/mol:

-33.13

Dipole, Da:

7.68

IP(EA), eV:

 -9.22(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-[(6-ethyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)NC2C3CCC(=C(N3C2=O)C(=O)O)C4=CSC(=N4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations