Geometry & MOs

Info

ID:	402016
PubChem CID:	135053873
Reduced:	N2O2F3H27C33 (1)
Stoich.:	A2B2C3D27E33 (1)
Weight, g/mol:	364.078556
ΔH_f, kcal/mol:	-110.85
Dipole, Da:	1.46
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[(1R,2S)-4-(4-chlorophenyl)-2-phenylcyclopent-3-en-1-yl]benzene

Drug info:

PubChemData

Smile

C1[C@H](NC2=C(C=CC=C2[C@H]1NC(=O)OCC3=CC=CC=C3)CC#CC4=CC=CC=C4)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations