Geometry & MOs

Info

ID:	243725
PubChem CID:	99234373
Reduced:	ClN2O2S2H13C16 (1)
Stoich.:	AB2C2D2E13F16 (1)
Weight, g/mol:	364.010698
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	0.68
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR)-7-chloro-1-oxo-N-(thiophen-2-ylmethyl)-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=CC=CS4

DOS

IR

Vibrations