Geometry & MOs

Info

ID:	223868
PubChem CID:	85335679
Reduced:	F3N4O5H29C33 (1)
Stoich.:	A3B4C5D29E33 (1)
Weight, g/mol:	618.287592
ΔH_f, kcal/mol:	-209.43
Dipole, Da:	4.44
IP(EA), eV:	-9.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)C(F)(F)F)C(=O)C2(CC2C(=O)NO)C3=CC=C(C=C3)OCC4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

DOS

IR

Vibrations