Geometry & MOs

Info

ID:	155025
PubChem CID:	56314595
Reduced:	SF3N3O3C21H26 (1)
Stoich.:	AB3C3D3E21F26 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-286.5
Dipole, Da:	5.04
IP(EA), eV:	-9.24(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=CC(=N2)C(F)(F)F)C(=O)N3CCCCC3CNC(=O)OC(C)(C)C

DOS

IR

Vibrations