Geometry & MOs

Info

ID:	198723
PubChem CID:	79141630
Reduced:	FNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	286.078742
ΔH_f, kcal/mol:	-136.14
Dipole, Da:	1.6
IP(EA), eV:	-8.65(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-(4-amino-3-fluorophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CSC1=CC(=C(C=C1)N)F

DOS

IR

Vibrations