Geometry & MOs

Info

ID:	440102
PubChem CID:	135230002
Reduced:	ClF2N7C21H24 (1)
Stoich.:	AB2C7D21E24 (1)
Weight, g/mol:	428.067606
ΔH_f, kcal/mol:	0.25
Dipole, Da:	3.64
IP(EA), eV:	-7.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(4-ethenylphenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]acetamide

Drug info:

PubChemData

Smile

C1CNCCC1N=C/C(=C\N)/C2=CN=C3C(=N2)N(CCN3)CC4=C(C=CC(=C4Cl)F)F

DOS

IR

Vibrations