Geometry & MOs

Info

ID:

424686

PubChem CID:

135123608

Reduced:

SO4N8C32H36 (1)

Stoich.:

AB4C8D32E36 (1)

Weight, g/mol:

491.220892

ΔHf, kcal/mol:

-7.75

Dipole, Da:

7.73

IP(EA), eV:

 -9.17(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7'-cyclopropyloxy-1'-[(4-methoxyphenyl)methyl]-5'-(2-phenylpyrazol-3-yl)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](CC(=O)N4C=CC(=N4)N)C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations