Geometry & MOs

Info

ID:	175083
PubChem CID:	75853213
Reduced:	ClN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	266.145285
ΔH_f, kcal/mol:	-43.66
Dipole, Da:	2.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.114271
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)C1=C(C=CC(=C1)Cl)O)C2=CC=CC=C2

DOS

IR

Vibrations