Geometry & MOs

Info

ID:	89408
PubChem CID:	49961498
Reduced:	SN2O6C27H30 (1)
Stoich.:	AB2C6D27E30 (1)
Weight, g/mol:	286.092912
ΔH_f, kcal/mol:	-199.7
Dipole, Da:	6.8
IP(EA), eV:	-8.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

DOS

IR

Vibrations