Geometry & MOs

Info

ID:	190392
PubChem CID:	77996081
Reduced:	FO3N5C40H40 (1)
Stoich.:	AB3C5D40E40 (1)
Weight, g/mol:	372.166077
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	5.62
IP(EA), eV:	-8.75(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-(5,5,5-trifluoro-3-oxo-1-phenylpentan-2-yl)pentanamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)C2=CC=CC=C2C(=O)NC3=NC4=C(C=C3)C=C(C=C4)C(=O)NC(C5=CC=CC=C5)C(=O)N(C)CC6=CC=C(C=C6)F

DOS

IR

Vibrations