Geometry & MOs

Info

ID:	364115
PubChem CID:	127314061
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	6.8
IP(EA), eV:	-9.4(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylsulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations