Geometry & MOs

Info

ID:	238589
PubChem CID:	92763265
Reduced:	OSN5C32H35 (1)
Stoich.:	ABC5D32E35 (1)
Weight, g/mol:	396.118688
ΔH_f, kcal/mol:	95.33
Dipole, Da:	1.4
IP(EA), eV:	-8.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(SC2=N1)[C@H](C3=CC=C(C=C3)C(C)C)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)O

DOS

IR

Vibrations