Geometry & MOs

Info

ID:	218447
PubChem CID:	85089459
Reduced:	ClN3O7C21H26 (1)
Stoich.:	AB3C7D21E26 (1)
Weight, g/mol:	469.06072
ΔH_f, kcal/mol:	-271.74
Dipole, Da:	3.22
IP(EA), eV:	-9.36(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC(=C(N)NNC(=O)CC1=CC=C(C=C1)Cl)C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations