Geometry & MOs

Info

ID:	335617
PubChem CID:	127254479
Reduced:	ON7C15H19 (1)
Stoich.:	AB7C15D19 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	67.58
Dipole, Da:	6.89
IP(EA), eV:	-9.43(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(2,5-dimethylpyrrol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2N1)N3C=NN=N3

DOS

IR

Vibrations