Geometry & MOs

Info

ID:	243721
PubChem CID:	99234330
Reduced:	ClSF3N3O3H15C19 (1)
Stoich.:	ABC3D3E3F15G19 (1)
Weight, g/mol:	418.075406
ΔH_f, kcal/mol:	-233.55
Dipole, Da:	2.56
IP(EA), eV:	-9.03(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-7-chloro-N-[(2,3-dimethoxyphenyl)methyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)C3=C(S2)C=CC(=C3)Cl)C(=O)NCC4=C(N=CC=C4)OCC(F)(F)F

DOS

IR

Vibrations