Geometry & MOs

Info

ID:	331592
PubChem CID:	127248999
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	448.158742
ΔH_f, kcal/mol:	-114.29
Dipole, Da:	3.69
IP(EA), eV:	-8.35(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-2-yl]-1-(3,6-dihydro-2H-pyran-5-ylmethyl)azepan-4-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)CC3=CCCOC3)O)COC4=CC=C(C=C4)OC

DOS

IR

Vibrations