Geometry & MOs

Info

ID:	334298
PubChem CID:	127252850
Reduced:	ClSN2O5C21H21 (1)
Stoich.:	ABC2D5E21F21 (1)
Weight, g/mol:	442.210387
ΔH_f, kcal/mol:	-138.37
Dipole, Da:	4.2
IP(EA), eV:	-8.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC4=CSC(=N4)C

DOS

IR

Vibrations