Geometry & MOs

Info

ID:	69062
PubChem CID:	46517285
Reduced:	N2S2O7C19H22 (1)
Stoich.:	A2B2C7D19E22 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-253.08
Dipole, Da:	6.91
IP(EA), eV:	-9.08(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyanophenyl)methyl 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations