Geometry & MOs

Info

ID:	413362
PubChem CID:	135086310
Reduced:	CH (14)
Stoich.:	AB (14)
Weight, g/mol:	518.187543
ΔH_f, kcal/mol:	74.94
Dipole, Da:	2.34
IP(EA), eV:	-8.65(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C/C=C(\C#C)/C1=CC=CC=C1)C

DOS

IR

Vibrations