Geometry & MOs

Info

ID:	375720
PubChem CID:	134220934
Reduced:	PN5O8C20H30 (1)
Stoich.:	AB5C8D20E30 (1)
Weight, g/mol:	334.15037
ΔH_f, kcal/mol:	-343.83
Dipole, Da:	3.58
IP(EA), eV:	-8.73(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-phenylphenyl)-5-thia-2,6-diazatricyclo[6.2.2.02,7]dodec-6-ene

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=C1N=CN2[C@H]3[C@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)COCCC(=O)OC(C)C)C)N

DOS

IR

Vibrations