Geometry & MOs

Info

ID:	237985
PubChem CID:	92728622
Reduced:	SO2N4C27H40 (1)
Stoich.:	AB2C4D27E40 (1)
Weight, g/mol:	420.171893
ΔH_f, kcal/mol:	-83.17
Dipole, Da:	7.93
IP(EA), eV:	-8.81(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,5-dimethoxyphenyl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)[C@H](C)C1CCN(CC1)C(=O)C2=C(N=C(S2)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations