Geometry & MOs

Info

ID:	429462
PubChem CID:	135169511
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	465.151098
ΔH_f, kcal/mol:	-24.52
Dipole, Da:	5.35
IP(EA), eV:	-8.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[6-[(3-phenylpyridin-4-yl)methoxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)COC2=CC3=C(C=C2)N=C(S3)NC4CCCC[C@H]4O

DOS

IR

Vibrations