Geometry & MOs

Info

ID:

425520

PubChem CID:

135126605

Reduced:

N3O4C23H29 (1)

Stoich.:

A3B4C23D29 (1)

Weight, g/mol:

1801.042533

ΔHf, kcal/mol:

-120.0

Dipole, Da:

3.81

IP(EA), eV:

-9.4(-0.64)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

1-[(2R,5R)-6-[3-(4-acetylpiperazine-1-carbonyl)benzoyl]oxy-4-(2-ethylbutanoyloxy)-1,4,9-tris(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)-5-[(2R)-3-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)-2-methylpropyl]-2,5,8-trimethyl-6-(2-methylpropanoyloxy)nonyl]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(CC3(CCOCC3)CNC2=O)C(=N1)CCCOC(=O)C4=CC=CC=C4

DOS

IR

Vibrations