Geometry & MOs

Info

ID:	424371
PubChem CID:	135122425
Reduced:	SO2F3N6C25H25 (1)
Stoich.:	AB2C3D6E25F25 (1)
Weight, g/mol:	403.07567
ΔH_f, kcal/mol:	-130.62
Dipole, Da:	7.62
IP(EA), eV:	-8.67(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(2-iodoethyl)spiro[6,7-dihydro-4H-pyrazolo[3,4-c]azepine-5,4'-oxane]-8-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)NS/N=C/C(=C/C2=CN=C(N=C2)NC3=CC=C(C=C3)OC(F)(F)F)/C

DOS

IR

Vibrations