Geometry & MOs

Info

ID:	245419
PubChem CID:	99444515
Reduced:	SO2N3C26H31 (1)
Stoich.:	AB2C3D26E31 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	0.67
Dipole, Da:	6.41
IP(EA), eV:	-8.59(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CSC2=CC=CC=C2C(=O)NC[C@@H](C(C)C)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations