Geometry & MOs

Info

ID:	64949
PubChem CID:	29204241
Reduced:	FN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	370.109962
ΔH_f, kcal/mol:	-55.07
Dipole, Da:	3.56
IP(EA), eV:	-9.08(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)NCC2=CN=CC=C2)F

DOS

IR

Vibrations