Geometry & MOs

Info

ID:	73471
PubChem CID:	48417825
Reduced:	BrOSN4C17H17 (1)
Stoich.:	ABCD4E17F17 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	27.26
Dipole, Da:	1.27
IP(EA), eV:	-8.63(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC(=CN2)Br)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations