Geometry & MOs

Info

ID:

424439

PubChem CID:

135122691

Reduced:

SF3O3N7H26C27 (1)

Stoich.:

AB3C3D7E26F27 (1)

Weight, g/mol:

458.25292

ΔHf, kcal/mol:

-135.0

Dipole, Da:

3.14

IP(EA), eV:

 -9.18(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)propyl 3,5-diethyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N\2C(=O)CS/C2=N\N=C\C(=O)N(C)C3=CN=C(N=C3)N(C)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations