Geometry & MOs

Info

ID:	229516
PubChem CID:	87567905
Reduced:	PSF2N2O6C32H49 (1)
Stoich.:	ABC2D2E6F32G49 (1)
Weight, g/mol:	232.060983
ΔH_f, kcal/mol:	-431.72
Dipole, Da:	3.17
IP(EA), eV:	-9.29(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2E)-2-(7-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(C(F)F)O)C(=O)NCCCCC2=CC=CC=C2

DOS

IR

Vibrations