Geometry & MOs

Info

ID:	364101
PubChem CID:	127314036
Reduced:	SO3N5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	297.114713
ΔH_f, kcal/mol:	-44.24
Dipole, Da:	5.15
IP(EA), eV:	-9.2(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(oxan-2-ylmethylsulfonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CN=CN=C4C3)N(C1=O)C

DOS

IR

Vibrations