Geometry & MOs

Info

ID:	424436
PubChem CID:	135122681
Reduced:	OSN4H6F8C16 (1)
Stoich.:	ABC4D6E8F16 (1)
Weight, g/mol:	447.273321
ΔH_f, kcal/mol:	-328.15
Dipole, Da:	5.39
IP(EA), eV:	-9.9(-1.8)
Spin(S_z, 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] oxane-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(F)(F)F)C(=O)NC2=NC(=NS2)C3=C(C=CC(=C3F)C(F)(F)F)F

DOS

IR

Vibrations