Geometry & MOs

Info

ID:	219664
PubChem CID:	85164401
Reduced:	N3O8C29H29 (1)
Stoich.:	A3B8C29D29 (1)
Weight, g/mol:	547.275447
ΔH_f, kcal/mol:	-228.65
Dipole, Da:	2.22
IP(EA), eV:	-8.07(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(1,2-dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]undec-10-ynamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C2C3=C(C(C4N2C(=O)OC4)NC5=CC(=C(C(=C5)OC)O)OC)C6=CC=CC=C6N3

DOS

IR

Vibrations