Geometry & MOs

Info

ID:	380956
PubChem CID:	134971567
Reduced:	NO2F3H18C23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	416.178117
ΔH_f, kcal/mol:	-152.05
Dipole, Da:	4.29
IP(EA), eV:	-9.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzylidene-[1-(4-chlorophenyl)cyclopentanecarbonyl]-[(1S)-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

CO[C@]1(C2=CC=CC=C2[C@H](N(C1=O)C3=CC=CC=C3)C4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations