Geometry & MOs

Info

ID:	237273
PubChem CID:	92718072
Reduced:	SN5O6H15C17 (1)
Stoich.:	AB5C6D15E17 (1)
Weight, g/mol:	484.166808
ΔH_f, kcal/mol:	-83.37
Dipole, Da:	7.16
IP(EA), eV:	-9.64(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations