Geometry & MOs

Info

ID:	391312
PubChem CID:	135004259
Reduced:	NO3C22H33 (1)
Stoich.:	AB3C22D33 (1)
Weight, g/mol:	545.143429
ΔH_f, kcal/mol:	-140.27
Dipole, Da:	2.37
IP(EA), eV:	-9.57(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2S,6S)-3,6-bis(4-nitrophenyl)-2-[(E)-2-phenylethenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

Drug info:

PubChemData

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CCCCCCCC/C=C\[C@@H]1[C@@H](CCN1C(=O)OCC2=CC=CC=C2)O

DOS

IR

Vibrations