Geometry & MOs

Info

ID:	320303
PubChem CID:	126659416
Reduced:	NSC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	478.244327
ΔH_f, kcal/mol:	19.14
Dipole, Da:	1.4
IP(EA), eV:	-8.49(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[[(E)-1-[4-cyclohexyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethylideneamino]oxymethyl]phenyl]methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC/C=C/1\C(=C/CC)\SC(=N1)C

DOS

IR

Vibrations