Geometry & MOs

Info

ID:	434301
PubChem CID:	135174653
Reduced:	FNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	620.292008
ΔH_f, kcal/mol:	-99.88
Dipole, Da:	0.37
IP(EA), eV:	-8.98(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[3-[[2-(2-methylpropanoyl)-1-benzofuran-5-yl]oxy]cyclobutyl]amino]-1-[5-[(2R)-1-(methylsulfanylamino)propan-2-yl]oxy-1-benzofuran-2-yl]hexan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)O[C@@H](C)CNC(C)C

DOS

IR

Vibrations