Geometry & MOs

Info

ID:	37100
PubChem CID:	8016898
Reduced:	N4O5C21H28 (1)
Stoich.:	A4B5C21D28 (1)
Weight, g/mol:	393.095869
ΔH_f, kcal/mol:	-184.73
Dipole, Da:	8.36
IP(EA), eV:	-8.64(-0.24)
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-(4,6-difluoro-1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)[C@H]2COC3=CC=CC=C3O2)N

DOS

IR

Vibrations