Geometry & MOs

Info

ID:	447635
PubChem CID:	135284359
Reduced:	OSF2N2H9C10 (2)
Stoich.:	ABC2D2E9F10 (2)
Weight, g/mol:	806.676141
ΔH_f, kcal/mol:	-182.29
Dipole, Da:	4.55
IP(EA), eV:	-9.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-9-[[4-[[4,8,12,17,21,25-hexamethylhexacosyl(methyl)amino]methyl]phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one

Drug info:

PubChemData

Smile

C1CN([C@H](CC1(F)F)C2=CC=CC=C2)CC3=CC(=C(C=C3F)S(=O)(=O)NC4=NC=NS4)F

DOS

IR

Vibrations