Geometry & MOs

Info

ID:	141638
PubChem CID:	52906076
Reduced:	ClFOSN4H18C20 (1)
Stoich.:	ABCDE4F18G20 (1)
Weight, g/mol:	412.136925
ΔH_f, kcal/mol:	-4.13
Dipole, Da:	3.12
IP(EA), eV:	-8.58(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-3-(3-fluorophenyl)-1,2-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C(C(=NS3)C4=CC(=CC=C4)F)N

DOS

IR

Vibrations