Geometry & MOs

Info

ID:	334284
PubChem CID:	127252836
Reduced:	ClNO8H20C23 (1)
Stoich.:	ABC8D20E23 (1)
Weight, g/mol:	406.138953
ΔH_f, kcal/mol:	-260.54
Dipole, Da:	6.95
IP(EA), eV:	-9.05(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-5-nitro-11-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)-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)NC4=C(C=C(C=C4)O)C(=O)O

DOS

IR

Vibrations