Geometry & MOs

Info

ID:	331505
PubChem CID:	127248912
Reduced:	SN2O3C25H28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	420.224678
ΔH_f, kcal/mol:	-67.09
Dipole, Da:	4.73
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropyl)-4-[5-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]azepan-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C3=CC=CC=C3)O)CCOC4=CC=CC=C4

DOS

IR

Vibrations