Geometry & MOs

Info

ID:	126376
PubChem CID:	50962423
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	386.139033
ΔH_f, kcal/mol:	-80.5
Dipole, Da:	6.11
IP(EA), eV:	-8.27(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C2N1C=CC=C2)[C@@H]3C[C@@H](C[C@@H](O3)C4CCCCC4)NC(=O)C

DOS

IR

Vibrations