Geometry & MOs

Info

ID:	429493
PubChem CID:	135169542
Reduced:	SO2N3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	428.130697
ΔH_f, kcal/mol:	2.79
Dipole, Da:	4.93
IP(EA), eV:	-8.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[6-(1H-pyrrolo[2,3-b]pyridin-4-ylmethoxy)-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

C1CCC([C@@H](C1)O)NC2=NC3=C(S2)C=C(C=C3)OCC4=C(C=NC=C4)C5=CC=CC=C5

DOS

IR

Vibrations