Geometry & MOs

Info

ID:	79492
PubChem CID:	49786825
Reduced:	N2O3C10H11 (2)
Stoich.:	A2B3C10D11 (2)
Weight, g/mol:	434.094786
ΔH_f, kcal/mol:	-184.18
Dipole, Da:	7.57
IP(EA), eV:	-9.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=O)NCC3=CC=NC=C3)NC(=N2)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O

DOS

IR

Vibrations