Geometry & MOs

Info

ID:	186161
PubChem CID:	77397271
Reduced:	SN4O4C19H28 (1)
Stoich.:	AB4C4D19E28 (1)
Weight, g/mol:	433.232519
ΔH_f, kcal/mol:	-141.59
Dipole, Da:	4.28
IP(EA), eV:	-8.67(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-5-[[2-(2-methoxyethylamino)-5-(6-methoxy-2-methylpyridin-3-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CCOCCNC1=NC(=C(C(=N1)NC2CC(C(C2O)O)CO)C3=CSC=C3)C

DOS

IR

Vibrations