Geometry & MOs

Info

ID:	179340
PubChem CID:	76468782
Reduced:	ClSN2O5C23H23 (1)
Stoich.:	ABC2D5E23F23 (1)
Weight, g/mol:	424.178693
ΔH_f, kcal/mol:	-103.82
Dipole, Da:	3.27
IP(EA), eV:	-8.9(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-(1-benzoylimidazol-4-yl)ethyl]-2-methylphenyl]methyl benzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N2COC3C(C2=O)SC(=N3)C4=CC=C(C=C4)Cl)OCC(C5CC5)O

DOS

IR

Vibrations