Geometry & MOs

Info

ID:	391219
PubChem CID:	135003613
Reduced:	FNSH12C18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	438.135526
ΔH_f, kcal/mol:	36.93
Dipole, Da:	1.16
IP(EA), eV:	-7.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-N-(4-cyano-2,3,5,6-tetrafluorophenyl)-2-phenyl-1-(2-phenylethyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C4=CC=C(C=C4)F

DOS

IR

Vibrations