Geometry & MOs

Info

ID:	176841
PubChem CID:	76104525
Reduced:	ClO2N8C19H23 (1)
Stoich.:	AB2C8D19E23 (1)
Weight, g/mol:	277.039577
ΔH_f, kcal/mol:	68.54
Dipole, Da:	6.58
IP(EA), eV:	-9.04(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-(1,1,2,2-tetrafluoroethylsulfanyl)propanoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3NN=C(N3C4=CN(C(N24)Cl)C#N)C5=NC(=NO5)C6(CCCC6)O

DOS

IR

Vibrations