Geometry & MOs

Info

ID:	404335
PubChem CID:	135065904
Reduced:	ClN2O4H21C27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	625.0899
ΔH_f, kcal/mol:	-53.82
Dipole, Da:	2.9
IP(EA), eV:	-8.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@]1(CCC2=C(O1)C=CC(=C2)OC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=NC=CN4C5=CC=CC=C5

DOS

IR

Vibrations