Geometry & MOs

Info

ID:	396633
PubChem CID:	135028963
Reduced:	ClNC8H12 (1)
Stoich.:	ABC8D12 (1)
Weight, g/mol:	458.146427
ΔH_f, kcal/mol:	-0.11
Dipole, Da:	2.73
IP(EA), eV:	-9.4(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[(3R)-3-(benzenesulfonyl)-3-(4-fluorophenyl)-1-phenylpropylidene]amino]aniline

Drug info:

PubChemData

Smile

CC1=NCC=CCC1(C)Cl

DOS

IR

Vibrations