Geometry & MOs

Info

ID:	243724
PubChem CID:	99234340
Reduced:	SO2N4C24H34 (1)
Stoich.:	AB2C4D24E34 (1)
Weight, g/mol:	364.010698
ΔH_f, kcal/mol:	-71.87
Dipole, Da:	3.73
IP(EA), eV:	-8.73(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CCCCNC(=O)[C@@H]2CSCN2C(=O)C3=CNC4=CC=CC=C43)C

DOS

IR

Vibrations