Geometry & MOs

Info

ID:	190102
PubChem CID:	77954490
Reduced:	N5O5C24H33 (1)
Stoich.:	A5B5C24D33 (1)
Weight, g/mol:	448.168145
ΔH_f, kcal/mol:	-149.03
Dipole, Da:	2.58
IP(EA), eV:	-8.23(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-anilino-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)NCC2CC2)NC3CC(C(C3)O)CO)C4CC5=CC(=NC(=C5O4)OC)OC

DOS

IR

Vibrations