Geometry & MOs

Info

ID:	243545
PubChem CID:	99226728
Reduced:	SF2N2O2H16C19 (1)
Stoich.:	AB2C2D2E16F19 (1)
Weight, g/mol:	439.006341
ΔH_f, kcal/mol:	-87.51
Dipole, Da:	1.61
IP(EA), eV:	-9.06(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3-methylsulfonyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CN=C(S2)C3=CC=CC=C3F

DOS

IR

Vibrations