Geometry & MOs

Info

ID:	404055
PubChem CID:	135064812
Reduced:	PO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	250.063921
ΔH_f, kcal/mol:	-102.06
Dipole, Da:	4.01
IP(EA), eV:	-9.21(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-(trifluoromethylsulfanyl)phenol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)C2=CC=CC=C2)C(C)(C)C3=CC=CC=C3

DOS

IR

Vibrations