Geometry & MOs

Info

ID:

424656

PubChem CID:

135123525

Reduced:

SO5N6C37H42 (1)

Stoich.:

AB5C6D37E42 (1)

Weight, g/mol:

616.266125

ΔHf, kcal/mol:

-99.43

Dipole, Da:

6.07

IP(EA), eV:

 -9.25(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-[(4-methoxyphenyl)methyl]-7'-(1-methylpiperidin-4-yl)oxy-5'-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)NC(=O)C6=CNC(=O)C=C6)C

DOS

IR

Vibrations