Geometry & MOs

Info

ID:	315941
PubChem CID:	126629470
Reduced:	N5O5C29H39 (1)
Stoich.:	A5B5C29D39 (1)
Weight, g/mol:	317.111067
ΔH_f, kcal/mol:	-179.41
Dipole, Da:	8.88
IP(EA), eV:	-9.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[2-(2-oxopropanoyloxy)ethylcarbamoyl]propanedioate

Drug info:

PubChemData

Smile

C/C=C/C1=CC2=C(C=C1)C=CC(=N2)[C@@H](C)OC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)C

DOS

IR

Vibrations