Geometry & MOs

Info

ID:	146350
PubChem CID:	53673941
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	566.342798
ΔH_f, kcal/mol:	10.08
Dipole, Da:	2.37
IP(EA), eV:	-8.63(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyundecyl]amino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1C(=C)C(=C(C(=N1)N)N2C(=CN=C(C2=O)NCCC3=CC=CC=C3)C)CNC=O

DOS

IR

Vibrations