Geometry & MOs

Info

ID:	63196
PubChem CID:	26746648
Reduced:	ClSN2O4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	325.0717
ΔH_f, kcal/mol:	-60.62
Dipole, Da:	3.42
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 1-O-ethyl (E)-but-2-enedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=O)CCSC3=CC=CC=C3Cl

DOS

IR

Vibrations