Geometry & MOs

Info

ID:	155722
PubChem CID:	56367158
Reduced:	ClN2O4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	430.146347
ΔH_f, kcal/mol:	-154.53
Dipole, Da:	1.55
IP(EA), eV:	-8.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-2-methyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-2-phenylpropanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations