Geometry & MOs

Info

ID:	54265
PubChem CID:	16957260
Reduced:	ClOSN2H21C22 (1)
Stoich.:	ABCD2E21F22 (1)
Weight, g/mol:	381.01466
ΔH_f, kcal/mol:	44.53
Dipole, Da:	5.13
IP(EA), eV:	-8.56(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=S)N3CCN(CC3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations