Geometry & MOs

Info

ID:	223787
PubChem CID:	85335568
Reduced:	Cl2O5C30H40 (1)
Stoich.:	A2B5C30D40 (1)
Weight, g/mol:	552.240641
ΔH_f, kcal/mol:	-245.85
Dipole, Da:	10.29
IP(EA), eV:	-9.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5C(C5(C)C)(C)C)C)O)Cl)C

DOS

IR

Vibrations