Geometry & MOs

Info

ID:	446940
PubChem CID:	135278989
Reduced:	SN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	398.176106
ΔH_f, kcal/mol:	-6.16
Dipole, Da:	3.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.144651
Charge, e:	0

Chem-info

IUPAC name:

(2E,3Z)-N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-ethylidenehexa-3,5-dienamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CNC2=[N+]1O)C3=C(C=CC(=C3)SC)OC4CCCCC4

DOS

IR

Vibrations