Geometry & MOs

Info

ID:	62789
PubChem CID:	26736786
Reduced:	OSCl2N3H17C20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	477.127776
ΔH_f, kcal/mol:	37.19
Dipole, Da:	2.39
IP(EA), eV:	-8.82(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(1,3-benzothiazol-2-yl)-1-[4-(2-chlorophenyl)piperazin-1-yl]-5-(furan-2-yl)pent-4-en-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CSC(=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations