Geometry & MOs

Info

ID:	62089
PubChem CID:	26717514
Reduced:	FNOCl2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	471.255563
ΔH_f, kcal/mol:	-64.25
Dipole, Da:	4.47
IP(EA), eV:	-9.55(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC=CC=C2F

DOS

IR

Vibrations