Geometry & MOs

Info

ID:	364105
PubChem CID:	127314051
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	-64.5
Dipole, Da:	4.26
IP(EA), eV:	-9.85(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations