Geometry & MOs

Info

ID:	355652
PubChem CID:	127289410
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-26.15
Dipole, Da:	2.67
IP(EA), eV:	-8.96(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazol-1-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3CCCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations