Geometry & MOs

Info

ID:	73539
PubChem CID:	48418073
Reduced:	SO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	404.188212
ΔH_f, kcal/mol:	-67.14
Dipole, Da:	4.23
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN1CC(CC1=O)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations