Geometry & MOs

Info

ID:	42001
PubChem CID:	8148090
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-97.31
Dipole, Da:	4.16
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CN(C)CC3=C(C=C(C=C3)OC)OC)C

DOS

IR

Vibrations