Geometry & MOs

Info

ID:	126418
PubChem CID:	50964301
Reduced:	ON5C19H33 (1)
Stoich.:	AB5C19D33 (1)
Weight, g/mol:	356.098391
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	4.41
IP(EA), eV:	-8.73(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aS,6aR)-5-ethyl-4,6-dioxo-1-(2,4,5-trifluorophenyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N)C)CC(=O)N(CCN2CCCCCC2)C(C)C

DOS

IR

Vibrations