Geometry & MOs

Info

ID:	331521
PubChem CID:	127248928
Reduced:	SN2O3C23H32 (1)
Stoich.:	AB2C3D23E32 (1)
Weight, g/mol:	434.203942
ΔH_f, kcal/mol:	-118.01
Dipole, Da:	2.44
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[2-(2-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]-4-hydroxyazepan-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=C3

DOS

IR

Vibrations