Geometry & MOs

Info

ID:	40689
PubChem CID:	8144531
Reduced:	FOSN4C16H20 (1)
Stoich.:	ABCD4E16F20 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	28.24
Dipole, Da:	5.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.799630
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC1N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CC=CC=C4F

DOS

IR

Vibrations