Geometry & MOs

Info

ID:	351804
PubChem CID:	127282204
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-99.88
Dipole, Da:	2.79
IP(EA), eV:	-9.23(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-N-cyclopentylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=NNC(=O)C=C3

DOS

IR

Vibrations