Geometry & MOs

Info

ID:	364002
PubChem CID:	127313673
Reduced:	ClON2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	-32.77
Dipole, Da:	4.29
IP(EA), eV:	-9.42(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)N2CCC3=CN=CN=C3C2)C4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations