Geometry & MOs

Info

ID:	54232
PubChem CID:	16955354
Reduced:	FSO3N4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	442.131091
ΔH_f, kcal/mol:	-64.76
Dipole, Da:	6.23
IP(EA), eV:	-8.33(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=NC(=CS2)C(=O)N3CCN(CC3)C4=CC=CC=C4F)OC

DOS

IR

Vibrations