Geometry & MOs

Info

ID:

424726

PubChem CID:

135123716

Reduced:

SO4N5C32H41 (1)

Stoich.:

AB4C5D32E41 (1)

Weight, g/mol:

549.27399

ΔHf, kcal/mol:

-84.56

Dipole, Da:

4.02

IP(EA), eV:

 -8.47(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(S(C2=CC=CC=C2O1)(O)O)CC3=C(C=CC(=C3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)N)C

DOS

IR

Vibrations