Geometry & MOs

Info

ID:	140141
PubChem CID:	52653785
Reduced:	FSN2O2H19C20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-67.2
Dipole, Da:	4.05
IP(EA), eV:	-8.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-1-oxo-N-(4-propan-2-yloxyphenyl)-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations