Geometry & MOs

Info

ID:	302445
PubChem CID:	124361760
Reduced:	FO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	482.269319
ΔH_f, kcal/mol:	-166.6
Dipole, Da:	7.16
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2R)-1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)N

DOS

IR

Vibrations