Geometry & MOs

Info

ID:	49243
PubChem CID:	11532253
Reduced:	SN4O5H20C21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	440.207307
ΔH_f, kcal/mol:	-87.17
Dipole, Da:	5.1
IP(EA), eV:	-8.47(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-3-(2,6-dimethylphenyl)-5-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations