Geometry & MOs

Info

ID:	125885
PubChem CID:	50942054
Reduced:	SO2N7C19H23 (1)
Stoich.:	AB2C7D19E23 (1)
Weight, g/mol:	674.17802
ΔH_f, kcal/mol:	-12.04
Dipole, Da:	1.99
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(3-bromophenyl)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-4H-imidazol-3-ium-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=NC(=N2)N)SC(=N3)C4=CC=NC=C4

DOS

IR

Vibrations