Geometry & MOs

Info

ID:

424380

PubChem CID:

135122477

Reduced:

ClN3O4C24H30 (1)

Stoich.:

AB3C4D24E30 (1)

Weight, g/mol:

1525.943822

ΔHf, kcal/mol:

-150.83

Dipole, Da:

4.99

IP(EA), eV:

-9.49(-1.06)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

1-[(2R)-3-[2-ethyl-7-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)-4,4-bis[(2R)-3-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)-2-methylpropyl]-6-methyl-7-(2-methylpropanoyloxy)heptanoyl]oxy-1-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)-2-methylpropyl]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)C[C@H](C)COC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations