Geometry & MOs

Info

ID:	321783
PubChem CID:	126666976
Reduced:	F3S3N4O4H15C17 (1)
Stoich.:	A3B3C4D4E15F17 (1)
Weight, g/mol:	286.229666
ΔH_f, kcal/mol:	-233.02
Dipole, Da:	5.68
IP(EA), eV:	-9.05(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-(2-methylpent-3-yn-2-yl)phenol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)[C@@H](N)O)C2=CSC(=N2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations