Geometry & MOs

Info

ID:	60437
PubChem CID:	26686065
Reduced:	O2F3N4C24H30 (1)
Stoich.:	A2B3C4D24E30 (1)
Weight, g/mol:	462.224261
ΔH_f, kcal/mol:	-163.14
Dipole, Da:	9.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.820053
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)[NH+](C)CC2=CC=CC=C2N3CCCCC3

DOS

IR

Vibrations