Geometry & MOs

Info

ID:	150844
PubChem CID:	53790540
Reduced:	O3N6C19H26 (1)
Stoich.:	A3B6C19D26 (1)
Weight, g/mol:	499.124215
ΔH_f, kcal/mol:	-39.09
Dipole, Da:	3.9
IP(EA), eV:	-8.61(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-(6-cyanonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCOC=NN1C(=NN(C1=O)C(=O)NC(C)(C)C2=CC=CC=C2)N3CCCC3

DOS

IR

Vibrations