Geometry & MOs

Info

ID:	141022
PubChem CID:	52803183
Reduced:	ClFN2O6C22H24 (1)
Stoich.:	ABC2D6E22F24 (1)
Weight, g/mol:	455.988438
ΔH_f, kcal/mol:	-268.64
Dipole, Da:	8.18
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@H](C(=O)OCC(=O)N(C)CC1=CC=C(C=C1)OC)NC(=O)C2=C(C=CC(=C2)Cl)F)O

DOS

IR

Vibrations