Geometry & MOs

Info

ID:	62087
PubChem CID:	26717512
Reduced:	FNOCl2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	484.239579
ΔH_f, kcal/mol:	-64.03
Dipole, Da:	3.61
IP(EA), eV:	-9.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations