Geometry & MOs

Info

ID:	376037
PubChem CID:	134222037
Reduced:	ClF3O3N8H28C33 (1)
Stoich.:	AB3C3D8E28F33 (1)
Weight, g/mol:	233.068592
ΔH_f, kcal/mol:	-151.04
Dipole, Da:	12.93
IP(EA), eV:	-9.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-fluoro-1-[4-(fluoromethylsulfanyl)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(C2=CC(=CC(=C2)Cl)N3C=CC(=NC3=O)N)C(F)(F)F)C(=O)N(C)CC4=CN=C(C=C4)N5C=CC(=NC5=O)N

DOS

IR

Vibrations