Geometry & MOs

Info

ID:	128567
PubChem CID:	51050294
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	395.07718
ΔH_f, kcal/mol:	-131.82
Dipole, Da:	1.46
IP(EA), eV:	-9.63(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aR,4S,6R,6aS)-6-(4-chlorophenyl)-4-(3-methoxy-3-oxopropyl)-1,3-dioxo-3a,5,6,6a-tetrahydrofuro[3,4-c]pyrrole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)[C@@H](CO)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations