Geometry & MOs

Info

ID:

424688

PubChem CID:

135123624

Reduced:

SO4N7C35H41 (1)

Stoich.:

AB4C7D35E41 (1)

Weight, g/mol:

473.06603

ΔHf, kcal/mol:

-31.62

Dipole, Da:

2.57

IP(EA), eV:

 -8.58(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7'-bromo-5'-(2-ethylsulfanylacetyl)-1'-[(4-methoxyphenyl)methyl]spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CCC1CN(S(C2=C(O1)N=CC=C2)(O)O)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)[C@@H](C)C(=O)NC6=CN=CC=C6)C

DOS

IR

Vibrations