Geometry & MOs

Info

ID:	188785
PubChem CID:	77765570
Reduced:	NO3C13H15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	522.218843
ΔH_f, kcal/mol:	-224.11
Dipole, Da:	3.56
IP(EA), eV:	-9.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-4-methyl-5-[(2-phenoxyacetyl)amino]pentanamide

Drug info:

PubChemData

Smile

CC(CC(=O)OC)C(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations