Geometry & MOs

Info

ID:	44487
PubChem CID:	10503762
Reduced:	O4N7C22H25 (1)
Stoich.:	A4B7C22D25 (1)
Weight, g/mol:	451.229165
ΔH_f, kcal/mol:	-48.26
Dipole, Da:	5.11
IP(EA), eV:	-9.06(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-(diaminomethylideneamino)-2-[2-[2-[6-(dimethylamino)purin-9-yl]ethoxy]ethoxycarbonylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CC(=O)OCC1=CC=CC=C1)CN2C=CC3=C(N=CN=C32)N=[N+]=[N-]

DOS

IR

Vibrations