Geometry & MOs

Info

ID:	142056
PubChem CID:	52974498
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	414.091725
ΔH_f, kcal/mol:	-140.8
Dipole, Da:	6.41
IP(EA), eV:	-9.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-7aH-1,3-benzothiazol-2-ylidene]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)NC4=NC5CCCCC5N4

DOS

IR

Vibrations