Geometry & MOs

Info

ID:	364110
PubChem CID:	127314056
Reduced:	SN2O2C8H9 (2)
Stoich.:	AB2C2D8E9 (2)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	-95.94
Dipole, Da:	12.05
IP(EA), eV:	-9.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations