Geometry & MOs

Info

ID:	356658
PubChem CID:	127292077
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	385.222623
ΔH_f, kcal/mol:	-84.93
Dipole, Da:	2.41
IP(EA), eV:	-8.57(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCNC(=O)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations