Geometry & MOs

Info

ID:	413497
PubChem CID:	135086446
Reduced:	OSN2C25H26 (1)
Stoich.:	ABC2D25E26 (1)
Weight, g/mol:	518.187543
ΔH_f, kcal/mol:	46.33
Dipole, Da:	4.51
IP(EA), eV:	-8.34(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC(CSCC1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations