Geometry & MOs

Info

ID:	413570
PubChem CID:	135086519
Reduced:	NO2H15C18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	504.171893
ΔH_f, kcal/mol:	26.81
Dipole, Da:	4.53
IP(EA), eV:	-8.8(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-hydroxy-3-methyl-5-[3-methyl-4-oxo-4-(1-phenylimidazol-2-yl)butyl]phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(C2=O)C#C

DOS

IR

Vibrations