Geometry & MOs

Info

ID:	234034
PubChem CID:	92297574
Reduced:	FSO4N6H27C31 (1)
Stoich.:	ABC4D6E27F31 (1)
Weight, g/mol:	262.135765
ΔH_f, kcal/mol:	-73.24
Dipole, Da:	3.69
IP(EA), eV:	-8.8(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5Z)-5-benzylidene-2-methyl-2-phenylcyclopentan-1-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C=C(C=C2)N([C@H](C3=CC=C(C=C3)OC)C(=O)NCC4=CC=C(C=C4)F)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations