Geometry & MOs

Info

ID:	69063
PubChem CID:	46517320
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	438.218843
ΔH_f, kcal/mol:	-114.16
Dipole, Da:	8.64
IP(EA), eV:	-9.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC=C3C#N)C

DOS

IR

Vibrations