Geometry & MOs

Info

ID:	342617
PubChem CID:	127265777
Reduced:	OF3N4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	343.125358
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	5.54
IP(EA), eV:	-10.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(4-fluoro-3-methylphenyl)methylamino]-1,1-dioxothian-4-yl]acetate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NC(C1=CC(=CC=C1)C(F)(F)F)C2=NC=NN2

DOS

IR

Vibrations