Geometry & MOs

Info

ID:	434427
PubChem CID:	135174913
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	359.156658
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	1.18
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl 2-[3-[2-[2-fluoro-5-(propan-2-ylamino)phenoxy]ethoxy]propoxy]ethanethioate

Drug info:

PubChemData

Smile

CC(C)C(=O)COC1=CN=C(C=C1)OCCNS

DOS

IR

Vibrations