Geometry & MOs

Info

ID:	144064
PubChem CID:	53307216
Reduced:	ISN3C29H36 (1)
Stoich.:	ABC3D29E36 (1)
Weight, g/mol:	471.216492
ΔH_f, kcal/mol:	75.86
Dipole, Da:	6.32
IP(EA), eV:	-7.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylpentanoylamino)-(7H-purin-8-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C=C\3/N(C4=CC=CC=C4S3)CCCCN(CC)CC.[I-]

DOS

IR

Vibrations