Geometry & MOs

Info

ID:	416827
PubChem CID:	135090487
Reduced:	SO3N5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-24.94
Dipole, Da:	5.94
IP(EA), eV:	-8.77(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)CSC3=NNC(=N3)C4=CC=CO4

DOS

IR

Vibrations