Geometry & MOs

Info

ID:	261569
PubChem CID:	103240795
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	-61.26
Dipole, Da:	5.06
IP(EA), eV:	-9.09(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-ethyl-4-(2-phenylsulfanylethylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

COC1=C(N=CNC1=O)OCCCC2=CC=NC=C2

DOS

IR

Vibrations