Geometry & MOs

Info

ID:	334218
PubChem CID:	127252770
Reduced:	ClN2O6C28H33 (1)
Stoich.:	AB2C6D28E33 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-241.03
Dipole, Da:	6.61
IP(EA), eV:	-8.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-[2-(1,6-dimethyl-4-oxopyridin-3-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(=O)NC45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations