Geometry & MOs

Info

ID:	29770
PubChem CID:	837135
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	312.093249
ΔH_f, kcal/mol:	-11.94
Dipole, Da:	3.21
IP(EA), eV:	-8.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-methyl-1,3-benzothiazol-2-yl)-2-phenoxypropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)NC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations