Geometry & MOs

Info

ID:	33051
PubChem CID:	7850478
Reduced:	N2O5C17H22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	-192.25
Dipole, Da:	7.04
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC(=O)NC(C)C

DOS

IR

Vibrations