Geometry & MOs

Info

ID:	364030
PubChem CID:	127313701
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	390.065031
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	2.05
IP(EA), eV:	-9.39(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations