Geometry & MOs

Info

ID:	142967
PubChem CID:	53125068
Reduced:	FSO2N4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	-85.33
Dipole, Da:	5.55
IP(EA), eV:	-8.4(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(SC(=N1)N2CCCC2=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations