Geometry & MOs

Info

ID:	382662
PubChem CID:	134973945
Reduced:	SF3N3O4C24H34 (1)
Stoich.:	AB3C3D4E24F34 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-337.73
Dipole, Da:	7.13
IP(EA), eV:	-8.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-2-methyl-3,4-bis(phenylmethoxy)oxane

Drug info:

PubChemData

Smile

CC(=O)OCCCCCOC(=O)C1=CC(=CC(=C1)NC(=S)N[C@@H]2CCCC[C@H]2N(C)C)C(F)(F)F

DOS

IR

Vibrations