Geometry & MOs

Info

ID:	390817
PubChem CID:	135001112
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	324.16028
ΔH_f, kcal/mol:	-141.54
Dipole, Da:	2.13
IP(EA), eV:	-10.62(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S,7R)-7-[(E)-2-[(3aR,7aR)-1,3-dimethyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]ethenyl]-3-oxabicyclo[4.1.0]heptan-2-one

Drug info:

PubChemData

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CC(C)(C)OC(=O)[C@@H]1C[C@H]1C(=O)N

DOS

IR

Vibrations