Geometry & MOs

Info

ID:	64454
PubChem CID:	29200693
Reduced:	ClO3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	400.16322
ΔH_f, kcal/mol:	-84.44
Dipole, Da:	5.48
IP(EA), eV:	-8.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations