Geometry & MOs

Info

ID:	157409
PubChem CID:	56424028
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	433.159076
ΔH_f, kcal/mol:	3.44
Dipole, Da:	3.92
IP(EA), eV:	-9.14(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-methyl-1-oxo-1-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propylamino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCCCC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations