Geometry & MOs

Info

ID:	229902
PubChem CID:	87569483
Reduced:	SCl2O3N5H13C16 (1)
Stoich.:	AB2C3D5E13F16 (1)
Weight, g/mol:	390.313395
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	12.68
IP(EA), eV:	-9.17(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-ditert-butyl-4-hydroxy-2-(6-methylheptyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=NC(=CS3)CC(=O)O

DOS

IR

Vibrations