Geometry & MOs

Info

ID:	171523
PubChem CID:	75388851
Reduced:	ClSO2N3H14C16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	307.083156
ΔH_f, kcal/mol:	23.36
Dipole, Da:	4.69
IP(EA), eV:	-9.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-fluorophenyl)-2-(3,3,3-trifluoropropanoylamino)propanoate

Drug info:

PubChemData

Smile

C=CCN(CC1=CC=C(C=C1)C#N)S(=O)(=O)C2=CC(=CN=C2)Cl

DOS

IR

Vibrations