Geometry & MOs

Info

ID:	44584
PubChem CID:	10504207
Reduced:	NSO8C22H23 (1)
Stoich.:	ABC8D22E23 (1)
Weight, g/mol:	461.249901
ΔH_f, kcal/mol:	-237.81
Dipole, Da:	2.72
IP(EA), eV:	-9.84(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-(diaminomethylideneamino)-2-[5-[6-(2-methylaziridin-1-yl)purin-9-yl]pentoxycarbonylamino]pentanoic acid

Drug info:

PubChemData

Smile

C=CCOC(=O)C(C(CC(=O)C1=CC=C(C=C1)S(=O)(=O)N)C2=CC=CO2)C(=O)OCC=C

DOS

IR

Vibrations