Geometry & MOs

Info

ID:	364104
PubChem CID:	127314050
Reduced:	SO2N6C15H16 (1)
Stoich.:	AB2C6D15E16 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	26.79
Dipole, Da:	5.68
IP(EA), eV:	-9.6(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(cyclohexylmethylsulfonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)S(=O)(=O)N3CCC4=CN=CN=C4C3)C

DOS

IR

Vibrations