Geometry & MOs

Info

ID:	142241
PubChem CID:	53005303
Reduced:	ClSN3O5C19H24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-185.45
Dipole, Da:	10.92
IP(EA), eV:	-8.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethylphenyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1S(=O)(=O)N2CCCC2)C)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

DOS

IR

Vibrations