Geometry & MOs

Info

ID:

425533

PubChem CID:

135126638

Reduced:

SF3N4O5C32H37 (1)

Stoich.:

AB3C4D5E32F37 (1)

Weight, g/mol:

543.11575

ΔHf, kcal/mol:

-286.1

Dipole, Da:

2.41

IP(EA), eV:

 -8.57(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5'-[2-(4-bromophenyl)pyrazol-3-yl]-7'-methoxy-1'-[(4-methoxyphenyl)methyl]spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2N=N1)C)[C@@H](CC(=O)O)C3=CC(=C(C=C3)C)CN4C[C@H](CC5=C(S4(O)O)C=C(C=C5)C(F)(F)F)C)OC

DOS

IR

Vibrations