Geometry & MOs

Info

ID:	157511
PubChem CID:	56435342
Reduced:	O2S2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	419.094904
ΔH_f, kcal/mol:	4.97
Dipole, Da:	6.89
IP(EA), eV:	-8.63(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-thiophen-2-yl-1,3-thiazol-5-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2CCC(CC2)NC(=O)C3=CN=C(S3)C4=CC=CS4

DOS

IR

Vibrations