Geometry & MOs

Info

ID:	133381
PubChem CID:	51518123
Reduced:	S2N4O4H16C23 (1)
Stoich.:	A2B4C4D16E23 (1)
Weight, g/mol:	479.172621
ΔH_f, kcal/mol:	-32.36
Dipole, Da:	3.32
IP(EA), eV:	-8.87(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CSC2=NC(=O)C(=C(N21)[O-])C(C3=CC=CC4=CC=CC=C43)C5=C(N6CCSC6=NC5=O)[O-]

DOS

IR

Vibrations