Geometry & MOs

Info

ID:	395373
PubChem CID:	135025304
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	383.098
ΔH_f, kcal/mol:	-93.27
Dipole, Da:	3.91
IP(EA), eV:	-9.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-benzoyl-3-phenyl-2,3-dihydropyrido[2,1-b][1,3]benzothiazol-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C12)C=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations