Geometry & MOs

Info

ID:	185258
PubChem CID:	77277942
Reduced:	FS2N3O6H16C19 (1)
Stoich.:	AB2C3D6E16F19 (1)
Weight, g/mol:	470.233621
ΔH_f, kcal/mol:	-177.16
Dipole, Da:	7.13
IP(EA), eV:	-9.3(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-[2-(4-tert-butylphenyl)-2-(5-chloro-6-methoxypyridin-2-yl)ethenyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CNC(C1=CN(C(=C1)C2=C(N=CC=C2)F)S(=O)(=O)C3=CSC=C3)OC(=O)C=CC(=O)O

DOS

IR

Vibrations