Geometry & MOs

Info

ID:	388901
PubChem CID:	134990556
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-40.5
Dipole, Da:	2.75
IP(EA), eV:	-8.55(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5-trimethyl-6-[3-methyl-4-(4-nitrophenoxy)but-2-enyl]benzene-1,4-diol

Drug info:

PubChemData

Smile

CN(C)[C@H](CSC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations