Geometry & MOs

Info

ID:	224703
PubChem CID:	85346988
Reduced:	ClO4N5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	446.088673
ΔH_f, kcal/mol:	-92.86
Dipole, Da:	3.53
IP(EA), eV:	-9.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(CO)NC2=NC(=NC(=N2)Cl)NC(CO)C(C3=CC=CC=C3)O)O

DOS

IR

Vibrations