Geometry & MOs

Info

ID:	218560
PubChem CID:	85089620
Reduced:	FSO3N4C25H25 (1)
Stoich.:	ABC3D4E25F25 (1)
Weight, g/mol:	484.269908
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	4.66
IP(EA), eV:	-9.05(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-butyl-1-[[4-[4-(tetrazolidin-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethyl-1-oxidopyrazin-1-ium

Drug info:

PubChemData

Smile

CN1C=C(C(=O)C2=C1SC(=C2)CN(C)CC(C3=CC=CC=N3)O)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations