Geometry & MOs

Info

ID:	302374
PubChem CID:	124361499
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	538.26252
ΔH_f, kcal/mol:	-149.94
Dipole, Da:	6.58
IP(EA), eV:	-9.47(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-[4-[[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)N[C@H](CC(C)C)C(=O)O

DOS

IR

Vibrations