Geometry & MOs

Info

ID:

181316

PubChem CID:

76730748

Reduced:

ClO2N7C31H38 (1)

Stoich.:

AB2C7D31E38 (1)

Weight, g/mol:

655.382158

ΔHf, kcal/mol:

12.0

Dipole, Da:

6.82

IP(EA), eV:

 -9.61(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[8-tert-butyl-3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(tetrazolidin-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCCCC(C1=CC=C(C=C1)C(=O)NCC2=NNN=N2)N3C(=O)C(=NC34CCC(CC4)C(C)C)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations