Geometry & MOs

Info

ID:	413289
PubChem CID:	135086237
Reduced:	SiN2O3C28H38 (1)
Stoich.:	AB2C3D28E38 (1)
Weight, g/mol:	518.187543
ΔH_f, kcal/mol:	-141.01
Dipole, Da:	2.99
IP(EA), eV:	-8.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-hydroxy-2,3,6-trimethyl-5-[2-methyl-3-oxo-3-(1-phenylimidazol-2-yl)propyl]phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1O)CC(C)C(=O)C2=NC=CN2C3=CC=CC=C3)C)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations