Geometry & MOs

Info

ID:

181317

PubChem CID:

76730749

Reduced:

O2F3N7C35H48 (1)

Stoich.:

A2B3C7D35E48 (1)

Weight, g/mol:

524.224199

ΔHf, kcal/mol:

-168.95

Dipole, Da:

12.37

IP(EA), eV:

 -8.5(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[8-tert-butyl-2-(3-chloro-4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-cyclopropylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)CCC(C1=CC=C(C=C1)C(=O)NCC2NNNN2)N3C(=O)C(=NC34CCC(CC4)C(C)(C)C)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations