Geometry & MOs

Info

ID:	38390
PubChem CID:	8034525
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	409.113707
ΔH_f, kcal/mol:	-43.99
Dipole, Da:	5.35
IP(EA), eV:	-9.09(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-2H-1,2-oxazol-5-ylidene]-3-ethoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCCCOC

DOS

IR

Vibrations