Geometry & MOs

Info

ID:	335500
PubChem CID:	127254362
Reduced:	ON7C18H25 (1)
Stoich.:	AB7C18D25 (1)
Weight, g/mol:	358.073576
ΔH_f, kcal/mol:	49.17
Dipole, Da:	5.14
IP(EA), eV:	-9.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetamido-1,3-benzothiazol-2-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@H](C1=NC2=CC=CC=C2N1)C(C)C)N3C=NN=N3

DOS

IR

Vibrations