Geometry & MOs

Info

ID:	36268
PubChem CID:	7983971
Reduced:	ClSN2O3H15C20 (1)
Stoich.:	ABC2D3E15F20 (1)
Weight, g/mol:	395.093977
ΔH_f, kcal/mol:	-17.25
Dipole, Da:	6.32
IP(EA), eV:	-9.43(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OCC1=CSC(=N1)C2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations