Geometry & MOs

Info

ID:	434658
PubChem CID:	135175434
Reduced:	ClSF2O3N5C33H36 (1)
Stoich.:	ABC2D3E5F33G36 (1)
Weight, g/mol:	274.101665
ΔH_f, kcal/mol:	-147.52
Dipole, Da:	9.41
IP(EA), eV:	-9.22(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3,3-difluoro-2-hydroxy-3-(4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

C1CCC(C1)CN2C3=C(C=C(C=C3)S(=O)(=O)N[C@@H](C(=O)N4CCC(CC4)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F)C=N2

DOS

IR

Vibrations