Geometry & MOs

Info

ID:	188694
PubChem CID:	77755964
Reduced:	SF3O3N4C28H33 (1)
Stoich.:	AB3C3D4E28F33 (1)
Weight, g/mol:	562.259835
ΔH_f, kcal/mol:	-228.96
Dipole, Da:	3.8
IP(EA), eV:	-8.65(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-chlorophenyl)phenyl]-3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]hexanoic acid

Drug info:

PubChemData

Smile

CC(=C)CNN(CC(=O)NC1CCCCC1NC(=O)C2=CC=C(C=C2)SC)C(=O)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations