Geometry & MOs

Info

ID:	169046
PubChem CID:	75059045
Reduced:	SN4O4C29H38 (1)
Stoich.:	AB4C4D29E38 (1)
Weight, g/mol:	524.099313
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	2.48
IP(EA), eV:	-8.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[4-[3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluorophenyl]imidazol-2-yl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)C1=C(N=C(S1)CN2CCOCC2)C3=CC=C(C=C3)OCCCCCOC4=CC=C(C=C4)C(=NO)N

DOS

IR

Vibrations