Geometry & MOs

Info

ID:	126441
PubChem CID:	50965040
Reduced:	O3N4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	5.91
IP(EA), eV:	-9.37(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC(CC1=O)C2=NNC(=O)N2C3=CC=CC=C3OC4=CC=CC=C4

DOS

IR

Vibrations