Geometry & MOs

Info

ID:	188407
PubChem CID:	77712170
Reduced:	SN2O4C21H32 (1)
Stoich.:	AB2C4D21E32 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-153.6
Dipole, Da:	5.16
IP(EA), eV:	-8.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(dimethylamino)-2,1-benzothiazole-3-carboxamide;formic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC1=CC=C(C=C1)SC)C2CCNCC2.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations