Geometry & MOs

Info

ID:	331554
PubChem CID:	127248961
Reduced:	SF2N2O2C22H30 (1)
Stoich.:	AB2C2D2E22F30 (1)
Weight, g/mol:	418.192629
ΔH_f, kcal/mol:	-160.51
Dipole, Da:	3.0
IP(EA), eV:	-8.48(-0.54)
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-methylpropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations