Geometry & MOs

Info

ID:	364098
PubChem CID:	127314033
Reduced:	SO3N4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	358.109962
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	4.02
IP(EA), eV:	-9.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylsulfonyl)phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations