Geometry & MOs

Info

ID:	311349
PubChem CID:	126590637
Reduced:	SO5N7C25H29 (1)
Stoich.:	AB5C7D25E29 (1)
Weight, g/mol:	178.102751
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	6.71
IP(EA), eV:	-8.62(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3-trimethyl-1-(sulfanylmethoxy)butan-1-ol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=NN=C2NS(=O)(=O)[C@@H](C)[C@@H](C3=NC=C(C=N3)C)OC)C4=NC(=CC=C4)OC

DOS

IR

Vibrations