Geometry & MOs

Info

ID:	281985
PubChem CID:	103914635
Reduced:	O2N3C11H21 (1)
Stoich.:	A2B3C11D21 (1)
Weight, g/mol:	289.094806
ΔH_f, kcal/mol:	-74.03
Dipole, Da:	4.22
IP(EA), eV:	-8.96(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-difluorophenyl)ethyl]-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

CC(C1=NC=CN1C)NCCC(COC)O

DOS

IR

Vibrations