Geometry & MOs

Info

ID:	360564
PubChem CID:	127301209
Reduced:	O2F3N3C16H26 (1)
Stoich.:	A2B3C3D16E26 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-246.15
Dipole, Da:	3.13
IP(EA), eV:	-8.92(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azetidin-1-yl-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC2CCN(CC2)C3CC3)C(C(F)(F)F)O

DOS

IR

Vibrations