Geometry & MOs

Info

ID:	366436
PubChem CID:	127319925
Reduced:	SN2O3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	383.187878
ΔH_f, kcal/mol:	-121.8
Dipole, Da:	1.82
IP(EA), eV:	-8.41(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CC1CCCC2=C1C=CC(=C2)OC)N3CCS(=O)CC3

DOS

IR

Vibrations