Geometry & MOs

Info

ID:	429494
PubChem CID:	135169543
Reduced:	SO2N4H20C24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	428.107375
ΔH_f, kcal/mol:	37.7
Dipole, Da:	4.86
IP(EA), eV:	-8.47(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[[6-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1[C@@H](C(C2=CC=CC=C21)NC3=NC4=C(S3)C=C(C=C4)OCC5=C6C=CNC6=NC=C5)O

DOS

IR

Vibrations