Geometry & MOs

Info

ID:	126898
PubChem CID:	50983360
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	378.1591
ΔH_f, kcal/mol:	56.36
Dipole, Da:	3.29
IP(EA), eV:	-8.38(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=C2C=CC=NC2=C(C=C1)OC)CC3=CN=C(N=C3)N

DOS

IR

Vibrations