Geometry & MOs

Info

ID:	141063
PubChem CID:	52811862
Reduced:	FSO3N4C19H19 (1)
Stoich.:	ABC3D4E19F19 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	9.14
IP(EA), eV:	-8.61(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-1-[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(N=CN2C)C3=CC=C(C=C3)F)NS(=O)(=O)C

DOS

IR

Vibrations