Geometry & MOs

Info

ID:	331557
PubChem CID:	127248964
Reduced:	SF2N2O3C21H26 (1)
Stoich.:	AB2C2D3E21F26 (1)
Weight, g/mol:	432.208279
ΔH_f, kcal/mol:	-198.56
Dipole, Da:	2.31
IP(EA), eV:	-9.29(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-2-yl]azepan-1-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C(C)C)O)COC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations