Geometry & MOs

Info

ID:	44354
PubChem CID:	10503057
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	436.229499
ΔH_f, kcal/mol:	-89.26
Dipole, Da:	3.27
IP(EA), eV:	-8.73(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1CC[C@@H]3[C@H]2CN(C3)CCN4C(=O)C5=C(C=C(C=C5)[N+](=O)[O-])NC4=O

DOS

IR

Vibrations