Geometry & MOs

Info

ID:	242803
PubChem CID:	99206404
Reduced:	SO2N5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	406.182733
ΔH_f, kcal/mol:	27.98
Dipole, Da:	6.59
IP(EA), eV:	-8.53(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-pyrrolidin-1-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CC[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=CNN4C3=NC(=O)C5=CC=CC=C54

DOS

IR

Vibrations