Geometry & MOs

Info

ID:	126492
PubChem CID:	50966305
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-27.16
Dipole, Da:	4.97
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aS,6aR)-5-ethyl-3-(2-methylpropyl)-1-(2-methyl-1,3-thiazol-5-yl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=N2)CCNC(=O)CN3CCOC4=CC=CC=C4C3

DOS

IR

Vibrations