Geometry & MOs

Info

ID:	133674
PubChem CID:	51572986
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	340.088164
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	4.69
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)CC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations