Geometry & MOs

Info

ID:	135806
PubChem CID:	51938586
Reduced:	O2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	6.65
IP(EA), eV:	-8.98(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C[C@@H](CC2=O)C(=O)N3CCC[C@H]3C4=NN=C5N4CCCCC5)C

DOS

IR

Vibrations