Geometry & MOs

Info

ID:	47098
PubChem CID:	10529552
Reduced:	N3O6C27H43 (1)
Stoich.:	A3B6C27D43 (1)
Weight, g/mol:	505.168972
ΔH_f, kcal/mol:	-266.49
Dipole, Da:	10.85
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,5R,6S)-5-chloro-7-[(S)-(4-methylphenyl)sulfinyl]dodec-7-en-6-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC1=CC2=NC(=C1)CN3CCOCCOCCOCCN(C2)C(=O)CCCCCCCCC3=O

DOS

IR

Vibrations