Geometry & MOs

Info

ID:	184377
PubChem CID:	77153671
Reduced:	N5O7C22H29 (1)
Stoich.:	A5B7C22D29 (1)
Weight, g/mol:	332.060428
ΔH_f, kcal/mol:	-261.99
Dipole, Da:	1.3
IP(EA), eV:	-9.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-carboxy-2,6-dioxo-1,3-diazinan-4-yl)-2,4-dioxo-1,3-diazinane-5-carboxylic acid;hydrate

Drug info:

PubChemData

Smile

CCC(=O)C=CC(=O)N(CC(=O)N)NC(=O)C(C)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations