Geometry & MOs

Info

ID:	175505
PubChem CID:	75911552
Reduced:	OSN2F3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	-165.76
Dipole, Da:	4.06
IP(EA), eV:	-8.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N(CC(F)(F)F)C(=O)C2CCCC3=CC=CC=C23

DOS

IR

Vibrations