Geometry & MOs

Info

ID:	167052
PubChem CID:	74773780
Reduced:	ClSN3O4C20H24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	454.00205
ΔH_f, kcal/mol:	-133.34
Dipole, Da:	10.24
IP(EA), eV:	-8.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1NC(=O)C2CCC3C(C2)NC(=S)N(C3=O)CC=C)Cl)OC

DOS

IR

Vibrations