Geometry & MOs

Info

ID:	126865
PubChem CID:	50982753
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	350.15902
ΔH_f, kcal/mol:	-75.07
Dipole, Da:	3.25
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=NN=C(N1C2=CC(=CC=C2)OC)SCC(=O)O

DOS

IR

Vibrations