Geometry & MOs

Info

ID:

424678

PubChem CID:

135123581

Reduced:

SN6O6C40H44 (1)

Stoich.:

AB6C6D40E44 (1)

Weight, g/mol:

542.14163

ΔHf, kcal/mol:

-127.84

Dipole, Da:

5.42

IP(EA), eV:

 -9.14(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[7'-bromo-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclobutane-1,3'-indole]-5'-yl]-2-oxoethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)C(=O)N6[C@@H](COC6=O)CC7=CC=CC=C7)C

DOS

IR

Vibrations