Geometry & MOs

Info

ID:	218490
PubChem CID:	85089528
Reduced:	Cl2N6O6C17H18 (1)
Stoich.:	A2B6C6D17E18 (1)
Weight, g/mol:	472.214272
ΔH_f, kcal/mol:	-198.17
Dipole, Da:	5.99
IP(EA), eV:	-9.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CN2C3=C(N=C(N(C3=O)N)N)N(C2=O)C4C(C(C(O4)CO)O)O)Cl)Cl

DOS

IR

Vibrations