Geometry & MOs

Info

ID:	39722
PubChem CID:	8142046
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	-133.23
Dipole, Da:	7.68
IP(EA), eV:	-9.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxoisoindol-2-yl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O

DOS

IR

Vibrations