Geometry & MOs

Info

ID:	424509
PubChem CID:	135122960
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	405.226371
ΔH_f, kcal/mol:	-133.17
Dipole, Da:	7.25
IP(EA), eV:	-9.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)[C@@H](CC2=CC=CC=C2)N.N

DOS

IR

Vibrations