Geometry & MOs

Info

ID:

424669

PubChem CID:

135123559

Reduced:

O3N4C35H36 (1)

Stoich.:

A3B4C35D36 (1)

Weight, g/mol:

641.267191

ΔHf, kcal/mol:

25.2

Dipole, Da:

2.89

IP(EA), eV:

 -8.41(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC2(C1)CC(C2)OC3=CC(=CC4=C3N(C(=O)C45CCC5)CC6=CC=C(C=C6)OC)C7=CC=NN7C8=CC=CC=C8

DOS

IR

Vibrations