Geometry & MOs

Info

ID:

424358

PubChem CID:

135122370

Reduced:

SN6H36C50 (1)

Stoich.:

AB6C36D50 (1)

Weight, g/mol:

510.28422

ΔHf, kcal/mol:

272.18

Dipole, Da:

2.79

IP(EA), eV:

 -8.06(-1.45)

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)-2,2-dimethylpropyl] 4-(dimethylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC(=C(C=C2)C3=CC=C(C4=NSN=C34)C5=CC(=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87)N)N)C9=CC=CC1=CC=CC=C19

DOS

IR

Vibrations