Geometry & MOs

Info

ID:

37586

PubChem CID:

8022481

Reduced:

ClFNC15H16 (1)

Stoich.:

ABCD15E16 (1)

Weight, g/mol:

256.10074

ΔHf, kcal/mol:

9.83

Dipole, Da:

5.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754389

Charge, e:

 1

Chem-info

IUPAC name:

[(3S)-1,1-dioxothiolan-3-yl]-[(3-methoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@H](CC[NH3+])C2=CC=C(C=C2)Cl)F

DOS

IR

Vibrations