Geometry & MOs

Info

ID:	176870
PubChem CID:	76106817
Reduced:	O2C27H42 (1)
Stoich.:	A2B27C42 (1)
Weight, g/mol:	571.239061
ΔH_f, kcal/mol:	-93.39
Dipole, Da:	4.81
IP(EA), eV:	-8.94(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-amino-3-[(2-ethoxy-2-oxoethyl)-[2-[6-oxo-2-(phenylmethoxycarbonylamino)-5H-purin-9-yl]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC=CCCC=CC1=CC2CC(C(C2C1)C=CC(C(C)C3CCCCC3)O)O

DOS

IR

Vibrations