Geometry & MOs

Info

ID:	434440
PubChem CID:	135174926
Reduced:	PN5O6C10H13 (2)
Stoich.:	AB5C6D10E13 (2)
Weight, g/mol:	417.2475
ΔH_f, kcal/mol:	-498.98
Dipole, Da:	9.87
IP(EA), eV:	-9.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,19-dioxo-1,4,7,13-tetraoxa-10,18-diazacyclotricos-16-yl)acetamide

Drug info:

PubChemData

Smile

C1[C@H](C(OC1COP(=O)(O)OC2CC(OC2N3C=NC4=C3NC(=NC4=O)N)COP(=O)(O)O)C5=CN=C6N5N=CN=C6N)O

DOS

IR

Vibrations