Geometry & MOs

Info

ID:	429446
PubChem CID:	135169495
Reduced:	ISN3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	480.19436
ΔH_f, kcal/mol:	77.07
Dipole, Da:	4.86
IP(EA), eV:	-8.87(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[[4-methoxy-6-[[2-[(1-methylpyrazol-3-yl)amino]pyridin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CN(C2=C1C=C(C=N2)CN(C)CC=C)SI

DOS

IR

Vibrations