Geometry & MOs

Info

ID:	83002
PubChem CID:	49856974
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	507.146407
ΔH_f, kcal/mol:	-55.87
Dipole, Da:	9.67
IP(EA), eV:	-8.45(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[2-(3-carbamoyl-4-hydroxyphenyl)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCCC3C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations