Geometry & MOs

Info

ID:	331502
PubChem CID:	127248909
Reduced:	ClSN2O2C22H31 (1)
Stoich.:	ABC2D2E22F31 (1)
Weight, g/mol:	392.156992
ΔH_f, kcal/mol:	-76.13
Dipole, Da:	2.81
IP(EA), eV:	-8.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC(C)C)O)CCOC3=CC=CC=C3Cl

DOS

IR

Vibrations