Geometry & MOs

Info

ID:	155087
PubChem CID:	56320670
Reduced:	OSN2F3H15C16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	459.01136
ΔH_f, kcal/mol:	-136.37
Dipole, Da:	2.95
IP(EA), eV:	-9.66(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodo-4,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)C2=CSC(=N2)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations