Geometry & MOs

Info

ID:	320221
PubChem CID:	126658780
Reduced:	ClF2O2S2N4C20H25 (1)
Stoich.:	AB2C2D2E4F20G25 (1)
Weight, g/mol:	167.131014
ΔH_f, kcal/mol:	-145.04
Dipole, Da:	11.13
IP(EA), eV:	-8.83(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-methyl-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol

Drug info:

PubChemData

Smile

C[C@H]1CCC(N2C1(CCC2)CNC3=CC(=C(C=C3Cl)S(=O)(=O)NC4=NC=CS4)F)CF

DOS

IR

Vibrations