Geometry & MOs

Info

ID:	243175
PubChem CID:	99216472
Reduced:	ClSN4O4C18H19 (1)
Stoich.:	ABC4D4E18F19 (1)
Weight, g/mol:	425.07389
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	6.63
IP(EA), eV:	-9.48(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CCOC1=NC(=C(C=C1)Cl)C(=O)N(CCOC)CC2=NN=C(O2)C3=CC=CS3

DOS

IR

Vibrations