Geometry & MOs

Info

ID:	347978
PubChem CID:	127273040
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	340.193297
ΔH_f, kcal/mol:	-74.37
Dipole, Da:	0.83
IP(EA), eV:	-8.44(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC=C(C=C1)CN2CCCC2=O)N3CCN(CC3)C

DOS

IR

Vibrations