Geometry & MOs

Info

ID:	188696
PubChem CID:	77756003
Reduced:	S2N3O6C27H41 (1)
Stoich.:	A2B3C6D27E41 (1)
Weight, g/mol:	614.15654
ΔH_f, kcal/mol:	-267.83
Dipole, Da:	3.32
IP(EA), eV:	-8.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodophenyl)methylamino]butan-2-yl]-2-(3-oxo-4-propylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NS(=O)C(CC1=CC=C(C=C1)OC)C2CCCCC2)NC(=O)C3CSCN3C(=O)OC(C)(C)C

DOS

IR

Vibrations