Geometry & MOs

Info

ID:	429489
PubChem CID:	135169538
Reduced:	FIO2N8H22C25 (1)
Stoich.:	ABC2D8E22F25 (1)
Weight, g/mol:	482.184858
ΔH_f, kcal/mol:	51.87
Dipole, Da:	11.63
IP(EA), eV:	-9.22(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NC=C2N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)C(=O)NCCCCN)C#N)C(F)I

DOS

IR

Vibrations