Geometry & MOs

Info

ID:	395134
PubChem CID:	135024724
Reduced:	NO2F3H18C24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	333.17625
ΔH_f, kcal/mol:	-88.24
Dipole, Da:	8.27
IP(EA), eV:	-9.34(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-ethenyl-3-methyl-1-(4-methylphenyl)sulfonyl-3-pent-1-en-2-ylpyrrolidine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F)C

DOS

IR

Vibrations