Geometry & MOs

Info

ID:	132770
PubChem CID:	51416984
Reduced:	SF3N3O3H13C15 (1)
Stoich.:	AB3C3D3E13F15 (1)
Weight, g/mol:	251.066796
ΔH_f, kcal/mol:	-176.96
Dipole, Da:	6.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.117973
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-(1,3-benzodioxol-5-ylcarbamoylamino)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)CSC(=NC1=CC=CC(=C1)C(F)(F)F)N=C=[N-]

DOS

IR

Vibrations