Geometry & MOs

Info

ID:	201331
PubChem CID:	79525724
Reduced:	NSO4C13H23 (1)
Stoich.:	ABC4D13E23 (1)
Weight, g/mol:	267.059696
ΔH_f, kcal/mol:	-199.73
Dipole, Da:	4.63
IP(EA), eV:	-9.25(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

COCCSCC(=O)NCC1CCC(CC1)C(=O)O

DOS

IR

Vibrations