Geometry & MOs

Info

ID:

424802

PubChem CID:

135123972

Reduced:

S2O3N8C34H40 (1)

Stoich.:

A2B3C8D34E40 (1)

Weight, g/mol:

473.231456

ΔHf, kcal/mol:

5.48

Dipole, Da:

3.66

IP(EA), eV:

 -9.05(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7'-methoxy-1'-[(4-methoxyphenyl)methyl]-5'-[2-(oxan-4-yl)pyrazol-3-yl]spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC[C@H]1CC2=C(C=CC=N2)S(=O)(=O)N(C1)CC3=C(SC(=N3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)NC6=CN=CC=C6)C

DOS

IR

Vibrations