Geometry & MOs

Info

ID:	382376
PubChem CID:	134973501
Reduced:	N5O5C17H19 (1)
Stoich.:	A5B5C17D19 (1)
Weight, g/mol:	214.084124
ΔH_f, kcal/mol:	-153.6
Dipole, Da:	4.95
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-3-oxopropanoate

Drug info:

PubChemData

Smile

CN1C(=O)C2=C3C(=N1)OCC4N3C(CC4)C5(C2)C(=O)N(C(=O)N(C5=O)C)C

DOS

IR

Vibrations