Geometry & MOs

Info

ID:	191367
PubChem CID:	78138366
Reduced:	ClS2O4N5C20H20 (1)
Stoich.:	AB2C4D5E20F20 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-87.86
Dipole, Da:	7.03
IP(EA), eV:	-9.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(benzenesulfonyl)-1-phenylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2NC(C(C(=O)N2)C#N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations