Geometry & MOs

Info

ID:	178680
PubChem CID:	76368602
Reduced:	O6N7C25H31 (1)
Stoich.:	A6B7C25D31 (1)
Weight, g/mol:	538.228831
ΔH_f, kcal/mol:	-169.09
Dipole, Da:	8.46
IP(EA), eV:	-9.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]amino]-4-phenylbutanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3C(C(C(O3)N4C=NC5C4=NC(=NC5=O)N)O)O

DOS

IR

Vibrations