Geometry & MOs

Info

ID:	364112
PubChem CID:	127314058
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	388.120526
ΔH_f, kcal/mol:	-48.4
Dipole, Da:	5.71
IP(EA), eV:	-9.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylsulfonyl)phenyl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations