Geometry & MOs

Info

ID:	331522
PubChem CID:	127248929
Reduced:	FSN2O3C23H31 (1)
Stoich.:	ABC2D3E23F31 (1)
Weight, g/mol:	446.223929
ΔH_f, kcal/mol:	-157.85
Dipole, Da:	5.09
IP(EA), eV:	-9.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C(C)(C)C)O)CCOC3=CC=CC=C3F

DOS

IR

Vibrations