Geometry & MOs

Info

ID:	189672
PubChem CID:	77887587
Reduced:	SO2N5C22H29 (1)
Stoich.:	AB2C5D22E29 (1)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	-50.55
Dipole, Da:	3.93
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)NCC(C)C)NC2CC(CC2O)CO)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations