Geometry & MOs

Info

ID:

424613

PubChem CID:

135123329

Reduced:

SO4N7C36H41 (1)

Stoich.:

AB4C7D36E41 (1)

Weight, g/mol:

549.08635

ΔHf, kcal/mol:

-30.6

Dipole, Da:

2.61

IP(EA), eV:

 -9.16(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)NC(=O)C6=CN=CC=C6)C

DOS

IR

Vibrations