Geometry & MOs

Info

ID:	331564
PubChem CID:	127248971
Reduced:	SF2N2O3C20H24 (1)
Stoich.:	AB2C2D3E20F24 (1)
Weight, g/mol:	432.208279
ΔH_f, kcal/mol:	-195.04
Dipole, Da:	2.09
IP(EA), eV:	-9.28(-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]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(CC1)(C2=NC(=C(S2)COC3=CC(=C(C=C3)F)F)C)O

DOS

IR

Vibrations