Geometry & MOs

Info

ID:	181672
PubChem CID:	76773548
Reduced:	FCl2O2H11C16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	620.292008
ΔH_f, kcal/mol:	-81.27
Dipole, Da:	2.98
IP(EA), eV:	-9.41(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-hydroxy-4-[5-[(3-methoxyphenyl)methyl]-1-methylpyrrolidin-2-yl]butanoyl]-5-(3-phenylbutanoyl)phenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)CC(=O)C=CC2=CC(=C(C=C2)F)O

DOS

IR

Vibrations