Geometry & MOs

Info

ID:	65198
PubChem CID:	29204598
Reduced:	FN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	432.065904
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	5.64
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N'-(4-chlorobenzoyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NON=C2NC(=O)[C@H](C)OC3=CC=C(C=C3)F)C

DOS

IR

Vibrations