Geometry & MOs

Info

ID:	89857
PubChem CID:	49965066
Reduced:	ClSO2N5H14C21 (1)
Stoich.:	ABC2D5E14F21 (1)
Weight, g/mol:	332.11207
ΔH_f, kcal/mol:	56.14
Dipole, Da:	13.1
IP(EA), eV:	-9.08(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-amino-5-cyanospiro[2H-pyrano[2,3-c]pyrazole-4,4'-6,8-dioxabicyclo[3.2.1]octane]-3-yl)acetate

Drug info:

PubChemData

Smile

C=CCNC1=C(C2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Cl)C(=O)N2)C#N

DOS

IR

Vibrations