Geometry & MOs

Info

ID:	62085
PubChem CID:	26717510
Reduced:	NCl2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	484.239579
ΔH_f, kcal/mol:	-59.59
Dipole, Da:	4.12
IP(EA), eV:	-9.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-[(2S)-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=C(C=C2)OC

DOS

IR

Vibrations