Geometry & MOs

Info

ID:

186449

PubChem CID:

77434762

Reduced:

BrN2O3C28H35 (1)

Stoich.:

AB2C3D28E35 (1)

Weight, g/mol:

668.312078

ΔHf, kcal/mol:

-99.15

Dipole, Da:

3.54

IP(EA), eV:

 -9.66(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-amino-2-[(methylideneamino)hydrazinylidene]ethyl]-4-[1-[2-(3,5-dichlorophenyl)-8-(2-methylpropyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide

Drug info:

PubChemData

Smile

CC(CCC1(N=C(C(=O)N1C(C)C2=CC=C(C=C2)C(=O)OC)C3=CC(=CC=C3)Br)C)C(C)(C)C

DOS

IR

Vibrations