Geometry & MOs

Info

ID:	180196
PubChem CID:	76594920
Reduced:	ClN2O6C28H31 (1)
Stoich.:	AB2C6D28E31 (1)
Weight, g/mol:	298.033351
ΔH_f, kcal/mol:	-219.3
Dipole, Da:	2.93
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)C(CCOC)(C1C(CC2=CC=CC=C12)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)C(=O)OCC

DOS

IR

Vibrations