Geometry & MOs

Info

ID:	332637
PubChem CID:	127250923
Reduced:	SO2N6C17H18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	430.175339
ΔH_f, kcal/mol:	48.01
Dipole, Da:	5.11
IP(EA), eV:	-9.47(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethyl-3-[3-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidine-1-carbonyl]quinolin-4-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)C4=C(N=CS4)C

DOS

IR

Vibrations