Geometry & MOs

Info

ID:	302443
PubChem CID:	124361758
Reduced:	SN3O5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	482.269319
ΔH_f, kcal/mol:	-187.53
Dipole, Da:	5.57
IP(EA), eV:	-9.31(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@H](C(C)C)C(=O)NCC3=CC=CO3

DOS

IR

Vibrations