Geometry & MOs

Info

ID:	37118
PubChem CID:	8017087
Reduced:	OSN3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	376.105922
ΔH_f, kcal/mol:	12.93
Dipole, Da:	17.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759276
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](C[NH+](C1)CC2=CC(=O)N3C(=CSC3=N2)C4=CC=CC=C4)C

DOS

IR

Vibrations