Geometry & MOs

Info

ID:	404600
PubChem CID:	135067433
Reduced:	BrSN2O4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	188.120115
ΔH_f, kcal/mol:	-100.13
Dipole, Da:	8.56
IP(EA), eV:	-9.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylbut-1-ynoxy)-3-methylbenzene

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=CC(=C1)Br)CC(=O)N=S(=O)(C)C2=CC=CC=N2

DOS

IR

Vibrations