Geometry & MOs

Info

ID:

424879

PubChem CID:

135124299

Reduced:

SO6N7C38H47 (1)

Stoich.:

AB6C7D38E47 (1)

Weight, g/mol:

544.178041

ΔHf, kcal/mol:

-120.34

Dipole, Da:

7.3

IP(EA), eV:

 -8.57(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5'-(5-ethylsulfonyl-3-phenyltriazol-4-yl)-7'-hydroxy-1'-[(4-methoxyphenyl)methyl]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)NC6=CN=C(N=C6)OCCO)C

DOS

IR

Vibrations