Geometry & MOs

Info

ID:	178099
PubChem CID:	76277302
Reduced:	SO3N4C24H34 (1)
Stoich.:	AB3C4D24E34 (1)
Weight, g/mol:	486.193691
ΔH_f, kcal/mol:	-98.91
Dipole, Da:	5.51
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC2=NC(=CS2)CN3CCCC(C3)C

DOS

IR

Vibrations