Geometry & MOs

Info

ID:	315501
PubChem CID:	126627253
Reduced:	NC5H11 (2)
Stoich.:	AB5C11 (2)
Weight, g/mol:	519.253335
ΔH_f, kcal/mol:	-8.53
Dipole, Da:	1.8
IP(EA), eV:	-8.86(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R)-4-[[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]methyl]-2-methyl-5-oxo-4-[(4-pyridin-3-ylbenzoyl)amino]pentanoate

Drug info:

PubChemData

Smile

CC(CCCCCCN=C)NC

DOS

IR

Vibrations