Geometry & MOs

Info

ID:	33052
PubChem CID:	7850492
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-23.83
Dipole, Da:	4.92
IP(EA), eV:	-9.26(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C#N)OC(=O)/C=C/C1=CSC(=N1)N(C2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations