Geometry & MOs

Info

ID:	63198
PubChem CID:	26746650
Reduced:	N2O6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	325.0717
ΔH_f, kcal/mol:	-123.77
Dipole, Da:	3.78
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3

DOS

IR

Vibrations