Geometry & MOs

Info

ID:	390768
PubChem CID:	135000827
Reduced:	NO2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	309.067094
ΔH_f, kcal/mol:	-95.8
Dipole, Da:	2.15
IP(EA), eV:	-9.27(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(=C)[C@H]2CCC[C@H]2C1CC3=CC=CC=C3

DOS

IR

Vibrations