Geometry & MOs

Info

ID:

424627

PubChem CID:

135123377

Reduced:

SN5O8C37H47 (1)

Stoich.:

AB5C8D37E47 (1)

Weight, g/mol:

543.22704

ΔHf, kcal/mol:

-257.81

Dipole, Da:

2.84

IP(EA), eV:

 -8.5(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7'-(6-aminopyridin-3-yl)oxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-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)NC(CCC(=O)O)C(=O)O)C

DOS

IR

Vibrations