Geometry & MOs

Info

ID:	129805
PubChem CID:	51073901
Reduced:	N2S2O3C15H22 (1)
Stoich.:	A2B2C3D15E22 (1)
Weight, g/mol:	346.11627
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	5.82
IP(EA), eV:	-8.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-difluorophenyl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C)C

DOS

IR

Vibrations