Geometry & MOs

Info

ID:	268515
PubChem CID:	103599709
Reduced:	FSN2O3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	426.263091
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	4.86
IP(EA), eV:	-9.5(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N(CCC2=CC(=CC=C2)F)C3CC3

DOS

IR

Vibrations