Geometry & MOs

Info

ID:	170014
PubChem CID:	75181683
Reduced:	Br2H12C15 (1)
Stoich.:	A2B12C15 (1)
Weight, g/mol:	743.357977
ΔH_f, kcal/mol:	58.12
Dipole, Da:	2.33
IP(EA), eV:	-9.23(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[1-[[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC=CC2=CC=C(C=C2)Br)Br

DOS

IR

Vibrations