Geometry & MOs

Info

ID:	146414
PubChem CID:	53686299
Reduced:	SCl2O2N4H6C13 (1)
Stoich.:	AB2C2D4E6F13 (1)
Weight, g/mol:	436.218266
ΔH_f, kcal/mol:	96.27
Dipole, Da:	3.57
IP(EA), eV:	-9.85(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-[5-(6-methoxypurin-9-yl)pentoxycarbonylamino]pentanoic acid

Drug info:

PubChemData

Smile

C1=CN=CC=C1SC2=C(C=C3C(=C2)N=C(C(=N3)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations