Geometry & MOs

Info

ID:	331525
PubChem CID:	127248932
Reduced:	ClSN2O4C21H27 (1)
Stoich.:	ABC2D4E21F27 (1)
Weight, g/mol:	404.193378
ΔH_f, kcal/mol:	-148.81
Dipole, Da:	2.03
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-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)COC)O)CCOC3=CC=C(C=C3)Cl

DOS

IR

Vibrations