Geometry & MOs

Info

ID:	33257
PubChem CID:	7885682
Reduced:	FSN2O2H15C16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	359.153286
ΔH_f, kcal/mol:	-74.37
Dipole, Da:	0.94
IP(EA), eV:	-8.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluorophenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=C(C=C3)OC)F)C

DOS

IR

Vibrations