Geometry & MOs

Info

ID:	135329
PubChem CID:	51852325
Reduced:	FN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	398.039499
ΔH_f, kcal/mol:	-69.39
Dipole, Da:	7.59
IP(EA), eV:	-9.4(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl (2S)-2-(2,3-dioxoindol-1-yl)propanoate

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)F)C(=O)O

DOS

IR

Vibrations