Geometry & MOs

Info

ID:	424373
PubChem CID:	135122441
Reduced:	ClF3N3O5H17C20 (1)
Stoich.:	AB3C3D5E17F20 (1)
Weight, g/mol:	510.28422
ΔH_f, kcal/mol:	-265.67
Dipole, Da:	4.27
IP(EA), eV:	-8.86(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)-2-methylpropyl] 3-(propan-2-ylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=CC=C1OC2=C(C=C(C(=C2)N3C(=O)N(C(=N3)C)C(F)F)F)Cl

DOS

IR

Vibrations