Geometry & MOs

Info

ID:	342070
PubChem CID:	127264783
Reduced:	BrON4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	77.27
Dipole, Da:	6.16
IP(EA), eV:	-9.18(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=CC2=NC(=O)C3=CNN(C3=N2)C)Br

DOS

IR

Vibrations