Geometry & MOs

Info

ID:	39865
PubChem CID:	8142596
Reduced:	O2S2N3C18H29 (1)
Stoich.:	A2B2C3D18E29 (1)
Weight, g/mol:	292.105922
ΔH_f, kcal/mol:	-89.46
Dipole, Da:	6.52
IP(EA), eV:	-8.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,7S,7aS)-2-(2-morpholin-4-yl-2-oxoethyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)C/C(=N/NC(=S)SCN1C(=O)[C@@H]2CC[C@](C1=O)(C2(C)C)C)/C

DOS

IR

Vibrations