Geometry & MOs

Info

ID:	449237
PubChem CID:	135297083
Reduced:	OSF3N5C24H28 (1)
Stoich.:	ABC3D5E24F28 (1)
Weight, g/mol:	310.109962
ΔH_f, kcal/mol:	-112.65
Dipole, Da:	5.39
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-4-(azidomethyl)-1-benzylpyrrolidin-3-yl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3C[C@H]4CC[C@H]([C@H]4C3)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations