Geometry & MOs

Info

ID:	133346
PubChem CID:	51511866
Reduced:	SO2N5C29H45 (1)
Stoich.:	AB2C5D29E45 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-95.02
Dipole, Da:	2.3
IP(EA), eV:	-9.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2CCN(CC2)C(=O)CSC3=NN=C4N3C5CCCCC5C(=O)N4C6CCCCC6

DOS

IR

Vibrations