Geometry & MOs

Info

ID:	187783
PubChem CID:	77622458
Reduced:	SN2O4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	358.117356
ΔH_f, kcal/mol:	-99.38
Dipole, Da:	6.57
IP(EA), eV:	-8.29(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1(C2COC3=C(C2NC4=C1C=C(C=C4)C5=CC=C(C=C5)S(=O)(=O)N)C(=CC=C3)OC)C

DOS

IR

Vibrations