Geometry & MOs

Info

ID:	334097
PubChem CID:	127252649
Reduced:	ClSN2O8H21C23 (1)
Stoich.:	ABC2D8E21F23 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-255.69
Dipole, Da:	7.45
IP(EA), eV:	-9.25(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)/C(=C/NC2=CC=C(C=C2)S(=O)(=O)N)/C(=O)[C@]13C(=O)C4=C(O3)C(=C(C=C4OC)OC)Cl

DOS

IR

Vibrations