Geometry & MOs

Info

ID:	320629
PubChem CID:	126662183
Reduced:	N3O4C31H55 (1)
Stoich.:	A3B4C31D55 (1)
Weight, g/mol:	393.152241
ΔH_f, kcal/mol:	-214.38
Dipole, Da:	3.58
IP(EA), eV:	-8.5(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-[2-[(4-fluorophenyl)methylsulfanyl]-6-(3-methylazetidin-1-yl)pyrimidin-4-yl]oxybutane-1,2-diol

Drug info:

PubChemData

Smile

CCN(CC)CCNC(C1CCC(=CC1)C(CC=CCOCC2CCN(CC2)C(=O)OC(C)(C)C)C=C)O

DOS

IR

Vibrations