Geometry & MOs

Info

ID:	55670
PubChem CID:	17395773
Reduced:	SO2F3N4C15H17 (1)
Stoich.:	AB2C3D4E15F17 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-209.83
Dipole, Da:	4.69
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(2-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2S1)N(C)CC(=O)NC(=O)NCC(F)(F)F

DOS

IR

Vibrations