Geometry & MOs

Info

ID:	360562
PubChem CID:	127301207
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	391.208276
ΔH_f, kcal/mol:	-125.21
Dipole, Da:	9.04
IP(EA), eV:	-9.28(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC3

DOS

IR

Vibrations