Geometry & MOs

Info

ID:	331511
PubChem CID:	127248918
Reduced:	SN2O4C23H32 (1)
Stoich.:	AB2C4D23E32 (1)
Weight, g/mol:	436.158742
ΔH_f, kcal/mol:	-150.15
Dipole, Da:	4.63
IP(EA), eV:	-8.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[2-(4-chlorophenoxy)ethyl]-4-methyl-1,3-thiazol-2-yl]-4-hydroxyazepan-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C(=O)C(C)C)O)CCOC3=CC=C(C=C3)OC

DOS

IR

Vibrations